Geometry & MOs

Info

ID:	402242
PubChem CID:	135055152
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	439.174336
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	2.99
IP(EA), eV:	-8.57(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(3S)-1-ethoxy-3-(furan-2-yl)-3-(4-nitroanilino)propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations