Geometry & MOs

Info

ID:	85162
PubChem CID:	49872166
Reduced:	N3O3C29H29 (1)
Stoich.:	A3B3C29D29 (1)
Weight, g/mol:	403.121818
ΔH_f, kcal/mol:	-39.06
Dipole, Da:	3.35
IP(EA), eV:	-7.92(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(2S)-2-amino-N-[4-[(E)-2-(1-methyl-4H-quinolin-4-yl)ethenyl]phenyl]propanamide;dichloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=CC(C3=CC=CC=C32)/C=C/C4=CC=C(C=C4)NC(=O)[C@@H](CCC(=O)O)N

DOS

IR

Vibrations