Geometry & MOs

Info

ID:	255197
PubChem CID:	103130629
Reduced:	BrOSN2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	225.184112
ΔH_f, kcal/mol:	20.03
Dipole, Da:	7.26
IP(EA), eV:	-8.56(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(CSC2=CC(=CC=C2)Br)O

DOS

IR

Vibrations