Geometry & MOs

Info

ID:	131369
PubChem CID:	51197615
Reduced:	O2N5C20H21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	356.104003
ΔH_f, kcal/mol:	2.09
Dipole, Da:	7.71
IP(EA), eV:	-9.38(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations