Geometry & MOs

Info

ID:	199269
PubChem CID:	79224916
Reduced:	BrN3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	35.96
Dipole, Da:	1.59
IP(EA), eV:	-8.75(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)-N-ethylethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2Br)C)CCNC(C)C

DOS

IR

Vibrations