Geometry & MOs

Info

ID:	333296
PubChem CID:	127251848
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	-36.03
Dipole, Da:	7.62
IP(EA), eV:	-8.51(-0.28)
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-(2-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)N2CCC(C2)C3=NC4=C(CN(CC4)C)C(=N3)NC

DOS

IR

Vibrations