Geometry & MOs

Info

ID:	150128
PubChem CID:	53789814
Reduced:	F8N8H39C40 (2)
Stoich.:	A8B8C39D40 (2)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-401.36
Dipole, Da:	4.44
IP(EA), eV:	-7.74(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-methylpiperidin-2-yl)phenyl]carbamic acid

Drug info:

Smile

C1C2C(C(C(C1NC3=CC=CC=C3F)NC4=CC=CC=C4F)NC5=CC=CC=C5F)C6NC2NC7C8C(C(C(C(C8F)F)F)F)C(N7)NC9C1C(C(C(C(C1F)F)F)F)C(N9)NC1C2C(C(C(C(C2=C(N6)N1NC1=CC=CC=C1F)NC1=CC=CC=C1F)NC1=CC=CC=C1F)NC1=CC=CC=C1F)NC1=CC=CC=C1F

DOS

IR

Vibrations