Geometry & MOs

Info

ID:	75151
PubChem CID:	48423091
Reduced:	ClO3N4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-64.77
Dipole, Da:	5.18
IP(EA), eV:	-9.32(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[2-(1-benzylimidazol-2-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CN3C=C(C=CC3=N2)Cl

DOS

IR

Vibrations