Geometry & MOs

Info

ID:	349008
PubChem CID:	127274734
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	8.18
IP(EA), eV:	-8.86(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-N-methyl-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NC2CCCN(C2)CC3=CC=CC=C3

DOS

IR

Vibrations