Geometry & MOs

Info

ID:	131411
PubChem CID:	51201726
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	368.140389
ΔH_f, kcal/mol:	61.87
Dipole, Da:	6.05
IP(EA), eV:	-9.17(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C(=O)N(C)C(C)C2=CC=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations