Geometry & MOs

Info

ID:	205681
PubChem CID:	80133709
Reduced:	ClON2C16H27 (1)
Stoich.:	ABC2D16E27 (1)
Weight, g/mol:	294.113506
ΔH_f, kcal/mol:	-65.49
Dipole, Da:	2.86
IP(EA), eV:	-9.41(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCCCC1C(C2=C(N(N=C2C(C)C)C)Cl)O

DOS

IR

Vibrations