Geometry & MOs

Info

ID:	255743
PubChem CID:	103134436
Reduced:	BrO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	293.05276
ΔH_f, kcal/mol:	-52.44
Dipole, Da:	1.37
IP(EA), eV:	-8.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methylphenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C3=CC=CC=C3C=C2)Br

DOS

IR

Vibrations