Geometry & MOs

Info

ID:	268055
PubChem CID:	103597598
Reduced:	O2N3S3H21C23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	154.110613
ΔH_f, kcal/mol:	21.21
Dipole, Da:	5.04
IP(EA), eV:	-8.77(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1-propan-2-ylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSC2=NC=CC(=C2)C3=NC(=CS3)C4=CC(=CC=C4)NS(=O)(=O)C

DOS

IR

Vibrations