Geometry & MOs

Info

ID:	433394
PubChem CID:	135173531
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	358.04292
ΔH_f, kcal/mol:	-71.0
Dipole, Da:	2.73
IP(EA), eV:	-8.53(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)phenoxy]ethanamine

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=CC=C1)N2CCC(CC2)OC3CC(C3)OC)OC

DOS

IR

Vibrations