Geometry & MOs

Info

ID:	132224
PubChem CID:	51324575
Reduced:	O2N3C14H27 (1)
Stoich.:	A2B3C14D27 (1)
Weight, g/mol:	352.109089
ΔH_f, kcal/mol:	-99.75
Dipole, Da:	2.36
IP(EA), eV:	-8.97(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(C)(C)CNC(=O)NC2CC2

DOS

IR

Vibrations