Geometry & MOs

Info

ID:	391244
PubChem CID:	135003847
Reduced:	O4N6H20C23 (1)
Stoich.:	A4B6C20D23 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	10.08
Dipole, Da:	11.05
IP(EA), eV:	-8.85(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-1-(1-benzyl-4-methylimidazol-2-yl)-2-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CN1C2=C(N=C1C3=CN(C4=C3C=C(C=C4)[N+](=O)[O-])CC5=CC=CC=C5)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations