Geometry & MOs

Info

ID:	82791
PubChem CID:	49856536
Reduced:	N2O5H16C17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	328.105922
ΔH_f, kcal/mol:	-88.25
Dipole, Da:	7.49
IP(EA), eV:	-10.24(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-benzamido-3-(4-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