Geometry & MOs

Info

ID:	366840
PubChem CID:	127320428
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	4.64
IP(EA), eV:	-8.95(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylazepan-1-yl)-2-(5-methyl-1-phenyltriazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCOCC1)N2CCCCCC2

DOS

IR

Vibrations