Geometry & MOs

Info

ID:	142897
PubChem CID:	53110657
Reduced:	SN2O2H20C21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-2.41
Dipole, Da:	5.6
IP(EA), eV:	-8.47(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)NCC3=CC=C(C=C3)SC

DOS

IR

Vibrations