Geometry & MOs

Info

ID:	313942
PubChem CID:	126619157
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	349.134575
ΔH_f, kcal/mol:	-100.8
Dipole, Da:	11.27
IP(EA), eV:	-7.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(4-chlorophenyl)ethyl]phenyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=C/C(=C\2/C=C3CCN(CC3=CN2)CCC(=O)OC(C)(C)C)/C=CC1=O

DOS

IR

Vibrations