Geometry & MOs

Info

ID:	353256
PubChem CID:	127284436
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-49.79
Dipole, Da:	5.64
IP(EA), eV:	-9.46(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethylpiperidin-1-yl)-(1-methylbenzotriazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)OC(=C2)C(=O)N3CCC(CC3)(C)C

DOS

IR

Vibrations