Geometry & MOs

Info

ID:	30610
PubChem CID:	841569
Reduced:	OSF2N2H16C18 (1)
Stoich.:	ABC2D2E16F18 (1)
Weight, g/mol:	272.107339
ΔH_f, kcal/mol:	-70.07
Dipole, Da:	5.09
IP(EA), eV:	-9.31(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=C(C=CC=C3F)F)C#N

DOS

IR

Vibrations