Geometry & MOs

Info

ID:	333242
PubChem CID:	127251791
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-74.05
Dipole, Da:	5.39
IP(EA), eV:	-8.48(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-acetylpyrrolidin-3-yl)-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC(=O)NC4=CC=C(C=C4)OC)C(=N2)NC

DOS

IR

Vibrations