Geometry & MOs

Info

ID:	327042
PubChem CID:	126688912
Reduced:	NO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	606.24539
ΔH_f, kcal/mol:	-110.93
Dipole, Da:	2.77
IP(EA), eV:	-8.35(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(2,3-dibutoxyphenyl)-hydroxymethyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1OCCCC)C(C2=CC(=CC=C2)N)O

DOS

IR

Vibrations