Geometry & MOs

Info

ID:	52378
PubChem CID:	12015222
Reduced:	O2N3C6H13 (1)
Stoich.:	A2B3C6D13 (1)
Weight, g/mol:	203.090606
ΔH_f, kcal/mol:	-43.99
Dipole, Da:	4.2
IP(EA), eV:	-9.48(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(methylamino)-2-nitro-3-(propylamino)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCN=C(C(=O)NC)NO

DOS

IR

Vibrations