Geometry & MOs

Info

ID:	266840
PubChem CID:	103579726
Reduced:	BrNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	321.08406
ΔH_f, kcal/mol:	-50.02
Dipole, Da:	4.69
IP(EA), eV:	-8.16(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCCCCOC

DOS

IR

Vibrations