Geometry & MOs

Info

ID:	367859
PubChem CID:	127325980
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-89.49
Dipole, Da:	6.27
IP(EA), eV:	-9.55(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylcyclohexyl)ethyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)CCNC(=O)C2=CN=C3N(C2=O)CCS3

DOS

IR

Vibrations