Geometry & MOs

Info

ID:	288225
PubChem CID:	104313753
Reduced:	BrON2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	322.07931
ΔH_f, kcal/mol:	5.33
Dipole, Da:	3.03
IP(EA), eV:	-8.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(C2=C(C=CC=N2)Br)NC

DOS

IR

Vibrations