Geometry & MOs

Info

ID:	37919
PubChem CID:	8025549
Reduced:	N2S2O3H14C16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-69.3
Dipole, Da:	4.73
IP(EA), eV:	-8.58(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)OCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations