Geometry & MOs

Info

ID:	56839
PubChem CID:	22394341
Reduced:	ClSO2N5H24C27 (1)
Stoich.:	ABC2D5E24F27 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	88.11
Dipole, Da:	3.53
IP(EA), eV:	-8.74(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC4=CC=CC=C4N3CC5=NOC(=C5)C6=CC=C(S6)Cl

DOS

IR

Vibrations