Geometry & MOs

Info

ID:	347879
PubChem CID:	127272941
Reduced:	O3N5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	-116.35
Dipole, Da:	4.71
IP(EA), eV:	-8.86(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)CNC(=O)N3CCC(CC3)C(=O)N4CCOCC4

DOS

IR

Vibrations