Geometry & MOs

Info

ID:	363899
PubChem CID:	127313556
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-65.43
Dipole, Da:	4.59
IP(EA), eV:	-8.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-(1-methylbenzotriazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations