Geometry & MOs

Info

ID:	419060
PubChem CID:	135107409
Reduced:	N5C15H21 (1)
Stoich.:	A5B15C21 (1)
Weight, g/mol:	376.085971
ΔH_f, kcal/mol:	33.42
Dipole, Da:	4.01
IP(EA), eV:	-8.55(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-2-[[4-(methanesulfonamido)piperidin-1-yl]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)N)NC(C)C2=CN=C(C=C2)C)C

DOS

IR

Vibrations