Geometry & MOs

Info

ID:	405366
PubChem CID:	135073693
Reduced:	NO5C25H35 (1)
Stoich.:	AB5C25D35 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	-223.26
Dipole, Da:	1.3
IP(EA), eV:	-8.26(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(Z)-4-hydroxybut-2-enyl]-2-[(1-methylindol-2-yl)methyl]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(C/C=C\CO)(CC1=CC2=CC=CC=C2N1C)C(=O)OC(C)(C)C

DOS

IR

Vibrations