Geometry & MOs

Info

ID:	56281
PubChem CID:	17422971
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-31.81
Dipole, Da:	2.21
IP(EA), eV:	-8.35(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC1N2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations