Geometry & MOs

Info

ID:	315369
PubChem CID:	126625720
Reduced:	OF4N5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	445.152573
ΔH_f, kcal/mol:	-150.44
Dipole, Da:	5.5
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N'-cyclopropyl-N-[5-(3-fluoro-4-methylphenyl)-1H-pyrazol-3-yl]carbamimidoyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2CC(NN2)/N=C(\NC3CC3)/NC(=O)C4=CC=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations