Geometry & MOs

Info

ID:	75124
PubChem CID:	48423036
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	4.67
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-(2-quinolin-8-ylethylamino)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations