Geometry & MOs

Info

ID:	61414
PubChem CID:	26709093
Reduced:	BrNO5C18H20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	388.226312
ΔH_f, kcal/mol:	-148.47
Dipole, Da:	2.77
IP(EA), eV:	-8.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)Br)OC)OC

DOS

IR

Vibrations