Geometry & MOs

Info

ID:	214180
PubChem CID:	81087256
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	255.194677
ΔH_f, kcal/mol:	-38.05
Dipole, Da:	5.54
IP(EA), eV:	-9.48(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylpentanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NCC1=CC=CC=C1[N+](=O)[O-])CN

DOS

IR

Vibrations