Geometry & MOs

Info

ID:	333280
PubChem CID:	127251832
Reduced:	O2N6C25H30 (1)
Stoich.:	A2B6C25D30 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	3.32
IP(EA), eV:	-8.33(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CC(=O)N3CCC(C3)C4=NC5=C(CN(CC5)C(=O)C)C(=N4)NC

DOS

IR

Vibrations