Geometry & MOs

Info

ID:	371158
PubChem CID:	127342683
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	4.67
IP(EA), eV:	-8.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyclopentyl-1,4-diazepan-1-yl)-2-methyl-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)CNC(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations