Geometry & MOs

Info

ID:	333324
PubChem CID:	127251876
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	421.247775
ΔH_f, kcal/mol:	-11.16
Dipole, Da:	7.25
IP(EA), eV:	-8.92(-0.15)
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]-2-(3,4-dimethylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)N2CCC(C2)C3=NC4=C(CN(CC4)C)C(=N3)NC)C

DOS

IR

Vibrations