Geometry & MOs

Info

ID:	327085
PubChem CID:	126688972
Reduced:	IOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	551.174451
ΔH_f, kcal/mol:	-79.28
Dipole, Da:	4.0
IP(EA), eV:	-9.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(cyclopropylmethylamino)-(2,5-difluorophenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCC(C)C(=O)I

DOS

IR

Vibrations