Geometry & MOs

Info

ID:	160076
PubChem CID:	57304618
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	350.235814
ΔH_f, kcal/mol:	-5.54
Dipole, Da:	6.91
IP(EA), eV:	-8.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-methyl-2-[[7-(2-methylpropyl)naphthalen-1-yl]methyl]pyrazol-3-yl]butan-1-ol

Drug info:

PubChemData

Smile

CC1C2=C(C(=S)N1C3=CC(=C(C=C3)OC)OC4CCCC4)N=CC=C2

DOS

IR

Vibrations