Geometry & MOs

Info

ID:	68631
PubChem CID:	46508798
Reduced:	N3O3H27C28 (1)
Stoich.:	A3B3C27D28 (1)
Weight, g/mol:	416.167083
ΔH_f, kcal/mol:	12.5
Dipole, Da:	5.83
IP(EA), eV:	-8.5(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)/C=C/C(=O)NCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations