Geometry & MOs

Info

ID:	402384
PubChem CID:	135055784
Reduced:	NO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	401.195071
ΔH_f, kcal/mol:	-70.28
Dipole, Da:	2.77
IP(EA), eV:	-8.48(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(3R)-1-ethoxy-3-(4-nitroanilino)pentyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](CC(=O)OC)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations