Geometry & MOs

Info

ID:	352148
PubChem CID:	127283216
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	5.79
IP(EA), eV:	-9.4(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylazepan-1-yl)-(1-methylbenzotriazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C(=O)C2=CC3=C(O2)C=CC(=N3)C

DOS

IR

Vibrations