Geometry & MOs

Info

ID:	85212
PubChem CID:	49872443
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	425.210327
ΔH_f, kcal/mol:	-92.43
Dipole, Da:	6.18
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-(4-hydroxyphenyl)-N-[4-[(E)-2-(1-methyl-4H-quinolin-4-yl)ethenyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1C2=C(C(=CC=C2)C(=O)N)C(=O)N1C3CCN(CC3)CCC(C)(C)C

DOS

IR

Vibrations