Geometry & MOs

Info

ID:	413869
PubChem CID:	135086820
Reduced:	O4N5C9H17 (1)
Stoich.:	A4B5C9D17 (1)
Weight, g/mol:	273.143704
ΔH_f, kcal/mol:	-84.61
Dipole, Da:	2.93
IP(EA), eV:	-9.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(/C(=N/NC(=O)N)/C)C(=O)N(C)C)[N+](=O)[O-]

DOS

IR

Vibrations