Geometry & MOs

Info

ID:	367083
PubChem CID:	127323136
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	1.78
Dipole, Da:	6.73
IP(EA), eV:	-9.04(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylpiperidin-1-yl)-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)CC3=NN=C(N3C)C4=CC=CC=C4

DOS

IR

Vibrations