Geometry & MOs

Info

ID:	233000
PubChem CID:	87577920
Reduced:	ClFNO3H9C11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	596.154436
ΔH_f, kcal/mol:	-84.69
Dipole, Da:	4.3
IP(EA), eV:	-10.22(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(cyclopropylmethyl)-1-(1H-indazol-5-ylmethyl)pyrrolidine-3-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

C1CC1(C(=O)O)N(C(=O)C2=CC=C(C=C2)Cl)F

DOS

IR

Vibrations