Geometry & MOs

Info

ID:	391425
PubChem CID:	135004972
Reduced:	N3C25H25 (1)
Stoich.:	A3B25C25 (1)
Weight, g/mol:	414.215472
ΔH_f, kcal/mol:	83.98
Dipole, Da:	4.91
IP(EA), eV:	-8.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(3S)-1-ethoxy-4-methyl-3-[(4-nitrophenyl)methyl]pentyl]carbamate

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=C2/N=C/C3=CC(=CC(=C3)C)C)C4=CC(=CC(=C4)C)C)C=C1

DOS

IR

Vibrations