Geometry & MOs

Info

ID:	266823
PubChem CID:	103579682
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	293.05276
ΔH_f, kcal/mol:	-51.71
Dipole, Da:	2.29
IP(EA), eV:	-8.33(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCC2CCCOC2

DOS

IR

Vibrations