Geometry & MOs

Info

ID:	357922
PubChem CID:	127295422
Reduced:	FO2N3C22H32 (1)
Stoich.:	AB2C3D22E32 (1)
Weight, g/mol:	377.304228
ΔH_f, kcal/mol:	-141.52
Dipole, Da:	8.15
IP(EA), eV:	-9.07(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C(C)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations