Geometry & MOs

Info

ID:	366064
PubChem CID:	127319387
Reduced:	SN3O3C18H29 (1)
Stoich.:	AB3C3D18E29 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-120.77
Dipole, Da:	9.11
IP(EA), eV:	-9.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-[2-(azepan-1-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCNC(=O)C(C)N2CCCCCC2

DOS

IR

Vibrations