Geometry & MOs

Info

ID:	194726
PubChem CID:	78582239
Reduced:	N3O4H23C24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	-68.19
Dipole, Da:	14.06
IP(EA), eV:	-8.96(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminopiperidin-1-yl)-phenylmethanone;methane

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=O)/C1=C/NC2=C(C=C(C=C2)OC)OC)C(C)C3=CC=CC=C3)C#N

DOS

IR

Vibrations