Geometry & MOs

Info

ID:	157927
PubChem CID:	56459048
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	33.47
Dipole, Da:	5.4
IP(EA), eV:	-9.0(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C(C2=CC=CC=C2)NC(=O)C3=CC4=C(S3)CCCCC4

DOS

IR

Vibrations