Geometry & MOs

Info

ID:	184673
PubChem CID:	77191616
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	522.251858
ΔH_f, kcal/mol:	-114.94
Dipole, Da:	6.16
IP(EA), eV:	-9.61(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[2-(3-hydroxyphenyl)-1-[1-(oxan-2-yl)indazol-5-yl]but-1-enyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC(C3(C2=O)CC3)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations