Geometry & MOs

Info

ID:	129067
PubChem CID:	51068708
Reduced:	ON5C23H35 (1)
Stoich.:	AB5C23D35 (1)
Weight, g/mol:	514.179202
ΔH_f, kcal/mol:	12.23
Dipole, Da:	4.05
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(dimethylamino)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCCNC(=O)N(CC1CC1)CC2=C(N(N=C2C(C)C)C3=CC=CC=C3)N(C)C

DOS

IR

Vibrations