Geometry & MOs

Info

ID:	443665
PubChem CID:	135259712
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	468.252526
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	5.63
IP(EA), eV:	-8.65(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,4R)-2-methyl-4-[(5-methylpyridin-2-yl)amino]-8-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)C2=CC3=C(C=C2)N([C@@H](C[C@H]3NC4=CC=CC=N4)C)C(=O)C

DOS

IR

Vibrations