Geometry & MOs

Info

ID:	82790
PubChem CID:	49856535
Reduced:	N2O5H16C17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	328.105922
ΔH_f, kcal/mol:	-84.76
Dipole, Da:	7.88
IP(EA), eV:	-10.09(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-benzamido-3-(3-nitrophenyl)propanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations