Geometry & MOs

Info

ID:	131408
PubChem CID:	51201656
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	11.12
Dipole, Da:	8.26
IP(EA), eV:	-9.2(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N(C)C(C)C2=CC=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations