Geometry & MOs

Info

ID:	357903
PubChem CID:	127295403
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	377.304228
ΔH_f, kcal/mol:	-99.55
Dipole, Da:	5.95
IP(EA), eV:	-9.25(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC(=O)NC3CCCC4=CC=CC=C34

DOS

IR

Vibrations