Geometry & MOs

Info

ID:	358536
PubChem CID:	127296132
Reduced:	O3N4C13H22 (1)
Stoich.:	A3B4C13D22 (1)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	4.3
IP(EA), eV:	-9.5(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidocyclohexyl)-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)NC(=O)N(C)CC2CCCOC2

DOS

IR

Vibrations