Geometry & MOs

Info

ID:	333250
PubChem CID:	127251799
Reduced:	O3N5C22H29 (1)
Stoich.:	A3B5C22D29 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	7.09
IP(EA), eV:	-8.79(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)C3CCN(C3)C(=O)C4=C(C=CC=C4OC)OC

DOS

IR

Vibrations