Geometry & MOs

Info

ID:	181668
PubChem CID:	76773496
Reduced:	O3H24C25 (1)
Stoich.:	A3B24C25 (1)
Weight, g/mol:	366.157957
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	4.1
IP(EA), eV:	-8.77(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxy-1-methylindazol-7-yl)-4-(3-hydroxy-4-methoxyphenyl)but-3-en-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)CC2=CC=CC(=C2)CCC3=CC=CC=C3)O

DOS

IR

Vibrations