Geometry & MOs

Info

ID:	256339
PubChem CID:	103138607
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	236.071641
ΔH_f, kcal/mol:	-33.44
Dipole, Da:	4.07
IP(EA), eV:	-8.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylphenyl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1C(=O)NC(=O)CN1C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations