Geometry & MOs

Info

ID:	333532
PubChem CID:	127252084
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	49.86
Dipole, Da:	8.35
IP(EA), eV:	-8.64(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-aminopyrido[2,3-d]pyrimidin-7-yl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCC(C2)C3=NC4=NC=NC(=C4C=C3)N

DOS

IR

Vibrations