Geometry & MOs

Info

ID:	225900
PubChem CID:	87235989
Reduced:	NPC7O7H16 (1)
Stoich.:	ABC7D7E16 (1)
Weight, g/mol:	431.018398
ΔH_f, kcal/mol:	-373.5
Dipole, Da:	3.65
IP(EA), eV:	-9.98(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(1R)-2,2-difluoro-1-(trifluoromethyl)cyclopropyl]pyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(CC)(N)P(=O)(O)O.C(=O)(C(=O)O)O

DOS

IR

Vibrations