Geometry & MOs

Info

ID:	37915
PubChem CID:	8025541
Reduced:	SN2O4H12C15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-86.39
Dipole, Da:	3.18
IP(EA), eV:	-8.66(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)NC(=N3)COC(=O)C4=CC=CO4

DOS

IR

Vibrations