Geometry & MOs

Info

ID:	55391
PubChem CID:	17395327
Reduced:	N2O5C16H16 (1)
Stoich.:	A2B5C16D16 (1)
Weight, g/mol:	299.126991
ΔH_f, kcal/mol:	-135.3
Dipole, Da:	3.42
IP(EA), eV:	-9.14(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[(N-methyl-4-nitroanilino)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)O)OC

DOS

IR

Vibrations