Geometry & MOs

Info

ID:	267396
PubChem CID:	103582095
Reduced:	BrN3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	321.08406
ΔH_f, kcal/mol:	18.57
Dipole, Da:	5.19
IP(EA), eV:	-8.12(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(C)C2=C(N(N=C2C)C)C

DOS

IR

Vibrations