Geometry & MOs

Info

ID:	355725
PubChem CID:	127289798
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-61.78
Dipole, Da:	5.4
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetyl]-N-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC3=C(C=C2)OCCO3)NC(=O)CN4CCC5=CN=CN=C5C4

DOS

IR

Vibrations