Geometry & MOs

Info

ID:	44642
PubChem CID:	10504593
Reduced:	N3O5C26H37 (1)
Stoich.:	A3B5C26D37 (1)
Weight, g/mol:	472.232185
ΔH_f, kcal/mol:	-187.97
Dipole, Da:	4.48
IP(EA), eV:	-9.0(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylamino)propyl]-N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)C[C@H]([C@@H](C(=O)NO)OCC1=CC2=CC=CC=C2C=C1)C(=O)N[C@H](C(=O)NC)C(C)(C)C

DOS

IR

Vibrations