Geometry & MOs

Info

ID:	404851
PubChem CID:	135071407
Reduced:	NO2C22H25 (1)
Stoich.:	AB2C22D25 (1)
Weight, g/mol:	301.175004
ΔH_f, kcal/mol:	-4.3
Dipole, Da:	4.58
IP(EA), eV:	-8.58(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]-N,N-diethyl-3-nitropentanamide

Drug info:

PubChemData

Smile

CC(=O)/C(=C/C1=CC=CC=C1N2CCOCC2)/C#CC3=CCCCC3

DOS

IR

Vibrations