Geometry & MOs

Info

ID:	169948
PubChem CID:	75173044
Reduced:	F3O3N5C23H26 (1)
Stoich.:	A3B3C5D23E26 (1)
Weight, g/mol:	460.172225
ΔH_f, kcal/mol:	-219.36
Dipole, Da:	9.9
IP(EA), eV:	-9.23(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazinane-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)N(C(=O)C(N2)C(=O)NCCN(C)C)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations