Geometry & MOs

Info

ID:	56843
PubChem CID:	22394351
Reduced:	NC4H9 (2)
Stoich.:	AB4C9 (2)
Weight, g/mol:	319.016684
ΔH_f, kcal/mol:	-19.99
Dipole, Da:	1.93
IP(EA), eV:	-8.75(3.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dichlorophenyl)methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)NC1CCNCC1

DOS

IR

Vibrations