Geometry & MOs

Info

ID:	266827
PubChem CID:	103579695
Reduced:	BrNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	293.05276
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	3.22
IP(EA), eV:	-8.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC(C)CO

DOS

IR

Vibrations