Geometry & MOs

Info

ID:	57207
PubChem CID:	22395480
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	311.113073
ΔH_f, kcal/mol:	-95.92
Dipole, Da:	1.29
IP(EA), eV:	-8.87(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzotriazol-1-ylmethyl)formamide;1-hydroxybenzotriazole

Drug info:

PubChemData

Smile

CCCCNCCCCOC(=O)C=C

DOS

IR

Vibrations