Geometry & MOs

Info

ID:	413764
PubChem CID:	135086714
Reduced:	O2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	441.157623
ΔH_f, kcal/mol:	-120.94
Dipole, Da:	5.58
IP(EA), eV:	-9.48(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(3-formyl-1H-indol-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C#CC(=O)CCCC(=O)OC)OCC1=CC=CC=C1

DOS

IR

Vibrations