Geometry & MOs

Info

ID:	333260
PubChem CID:	127251809
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	8.92
IP(EA), eV:	-8.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)CCC4=CC=C(C=C4)OC

DOS

IR

Vibrations