Geometry & MOs

Info

ID:	36682
PubChem CID:	8011018
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	382.96545
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	7.0
IP(EA), eV:	-9.35(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-nitrophenyl)methyl 3-iodobenzoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations