Geometry & MOs

Info

ID:	355700
PubChem CID:	127289773
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	14.46
Dipole, Da:	8.19
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations