Geometry & MOs

Info

ID:	352142
PubChem CID:	127283210
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	341.131031
ΔH_f, kcal/mol:	-77.31
Dipole, Da:	2.63
IP(EA), eV:	-9.15(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-methylbenzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1(COCCN1C(=O)C2CCC3=CC=CC=C23)C

DOS

IR

Vibrations