Geometry & MOs

Info

ID:	357888
PubChem CID:	127295388
Reduced:	O3N4C21H36 (1)
Stoich.:	A3B4C21D36 (1)
Weight, g/mol:	377.304228
ΔH_f, kcal/mol:	-177.86
Dipole, Da:	2.71
IP(EA), eV:	-9.5(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC(=O)CN2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations