Geometry & MOs

Info

ID:	295296
PubChem CID:	117525501
Reduced:	N3C17H21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	26.91
Dipole, Da:	0.82
IP(EA), eV:	-9.11(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCC2=NC(=C3CNCCC3=N2)C

DOS

IR

Vibrations