Geometry & MOs

Info

ID:	296718
PubChem CID:	117589948
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	375.06947
ΔH_f, kcal/mol:	102.6
Dipole, Da:	5.53
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-5-[2-(2-hydroxyethyl)piperidin-1-yl]triazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2N=C(C(=N2)N3CCCC3)C#N)C

DOS

IR

Vibrations