Geometry & MOs

Info

ID:	333273
PubChem CID:	127251825
Reduced:	ON6C25H34 (1)
Stoich.:	AB6C25D34 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	-0.93
Dipole, Da:	8.32
IP(EA), eV:	-8.01(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)CC4=CC5=C(C=C4)N(CCC5)C)C(=N2)NC

DOS

IR

Vibrations