Geometry & MOs

Info

ID:	85144
PubChem CID:	49872070
Reduced:	O2N3H19C22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	303.137162
ΔH_f, kcal/mol:	-2.27
Dipole, Da:	3.76
IP(EA), eV:	-8.95(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)N[C@@H]1C(=O)NC2=CC=C(C=C2)/C=C/C3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations