Geometry & MOs

Info

ID:	304381
PubChem CID:	124570915
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	325.226646
ΔH_f, kcal/mol:	-89.76
Dipole, Da:	3.62
IP(EA), eV:	-8.33(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R)-1-(2-pyridin-4-ylethyl)piperidin-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCNC[C@H]2C)OC

DOS

IR

Vibrations