Geometry & MOs

Info

ID:	255886
PubChem CID:	103135388
Reduced:	BrClO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	211.168462
ΔH_f, kcal/mol:	-85.79
Dipole, Da:	2.51
IP(EA), eV:	-9.11(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)CBr)Cl

DOS

IR

Vibrations