Geometry & MOs

Info

ID:	138528
PubChem CID:	52380219
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	335.281087
ΔH_f, kcal/mol:	-113.26
Dipole, Da:	4.33
IP(EA), eV:	-8.3(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-1-ium-4-yl]triazol-4-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations