Geometry & MOs

Info

ID:	142385
PubChem CID:	53026156
Reduced:	F2O3N4H22C27 (1)
Stoich.:	A2B3C4D22E27 (1)
Weight, g/mol:	477.166411
ΔH_f, kcal/mol:	-111.96
Dipole, Da:	4.78
IP(EA), eV:	-8.6(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methoxyphenyl)methyl]-8-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=NC3=C(C2=O)N(C4=C3C=C(C=C4)F)CC(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations