Geometry & MOs

Info

ID:	170367
PubChem CID:	75221846
Reduced:	N3O6H19C21 (1)
Stoich.:	A3B6C19D21 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-93.82
Dipole, Da:	0.93
IP(EA), eV:	-9.94(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-acetamido-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations