Geometry & MOs

Info

ID:	229021
PubChem CID:	87566795
Reduced:	N3F6C23H25 (1)
Stoich.:	A3B6C23D25 (1)
Weight, g/mol:	455.179617
ΔH_f, kcal/mol:	-271.65
Dipole, Da:	5.02
IP(EA), eV:	-8.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclohexylethyl)-5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-2H-pyrido[4,3-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCC(CC1)CCN2CC3=C(NCC=C3N=C2C4=CC=CC=C4C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations