Geometry & MOs

Info

ID:	333282
PubChem CID:	127251834
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-42.06
Dipole, Da:	9.24
IP(EA), eV:	-8.47(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)C(=O)C4=CC=C(C=C4)N5CCCC5)C(=N2)NC

DOS

IR

Vibrations