Geometry & MOs

Info

ID:	204728
PubChem CID:	80001168
Reduced:	ON2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	299.00581
ΔH_f, kcal/mol:	-39.14
Dipole, Da:	2.2
IP(EA), eV:	-8.97(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-bromophenyl)pyrazol-1-yl]pyridine

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)N=C(O2)CCC(CCN)C(C)C)C

DOS

IR

Vibrations