Geometry & MOs

Info

ID:	347749
PubChem CID:	127272811
Reduced:	N2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	262.215747
ΔH_f, kcal/mol:	8.84
Dipole, Da:	6.38
IP(EA), eV:	-9.06(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4,4-dimethylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Drug info:

PubChemData

Smile

CC1(CCN(CC1)CC2=NN=C3N2CCCC3)C

DOS

IR

Vibrations