Geometry & MOs

Info

ID:	162794
PubChem CID:	57570889
Reduced:	BNOC7H16 (1)
Stoich.:	ABCD7E16 (1)
Weight, g/mol:	426.142701
ΔH_f, kcal/mol:	-75.62
Dipole, Da:	3.47
IP(EA), eV:	-9.12(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)-4-methylidenepyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

B1(C(O1)CC)N(C)CCC

DOS

IR

Vibrations