Geometry & MOs

Info

ID:	315343
PubChem CID:	126625657
Reduced:	FO2N5C22H30 (1)
Stoich.:	AB2C5D22E30 (1)
Weight, g/mol:	433.116187
ΔH_f, kcal/mol:	-78.56
Dipole, Da:	6.47
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-N'-(oxetan-3-yl)carbamimidoyl]-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC(C)CN=C(NC(CC(C1=CC=C(C=C1)F)N)N)NC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations