Geometry & MOs

Info

ID:	194273
PubChem CID:	78507640
Reduced:	NO6C17H17 (1)
Stoich.:	AB6C17D17 (1)
Weight, g/mol:	404.148455
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	5.25
IP(EA), eV:	-9.27(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC

DOS

IR

Vibrations