Geometry & MOs

Info

ID:	233578
PubChem CID:	91145497
Reduced:	ClNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	372.160456
ΔH_f, kcal/mol:	-117.9
Dipole, Da:	6.92
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-2-propylindol-1-yl)methyl]benzoic acid;N-methylmethanamine

Drug info:

PubChemData

Smile

C1COCC2=C1C(=C(C=C2C(=O)O)Cl)N

DOS

IR

Vibrations