Geometry & MOs

Info

ID:	333333
PubChem CID:	127251885
Reduced:	ON3C12H17 (2)
Stoich.:	AB3C12D17 (2)
Weight, g/mol:	415.204196
ΔH_f, kcal/mol:	-29.37
Dipole, Da:	8.92
IP(EA), eV:	-7.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-2-[1-(2-phenylethylsulfonyl)pyrrolidin-3-yl]-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)CCN(C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations