Geometry & MOs

Info

ID:	153634
PubChem CID:	56312909
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	419.156909
ΔH_f, kcal/mol:	-126.75
Dipole, Da:	4.95
IP(EA), eV:	-9.41(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxypyridazin-3-yl)-N-(3-phenylbutyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)C)C2=CC=CC=C2

DOS

IR

Vibrations