Geometry & MOs

Info

ID:	321434
PubChem CID:	126666033
Reduced:	ClN4O4H25C26 (1)
Stoich.:	AB4C4D25E26 (1)
Weight, g/mol:	564.209673
ΔH_f, kcal/mol:	-42.02
Dipole, Da:	6.11
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2,3-bis(2-hydroxyethylamino)phenyl]methyl]phenyl]-2-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=C(C=CC(=C3)C(=O)N4CCCC4)OC)C(C)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations