Geometry & MOs

Info

ID:	366873
PubChem CID:	127321775
Reduced:	SN2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	-195.86
Dipole, Da:	5.65
IP(EA), eV:	-9.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-benzotriazol-5-yl-(2-methylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations