Geometry & MOs

Info

ID:	143421
PubChem CID:	53206929
Reduced:	SN3C24H31 (1)
Stoich.:	AB3C24D31 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	32.19
Dipole, Da:	5.68
IP(EA), eV:	-8.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(butan-2-ylamino)methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)N(CC1=CN(C2=CC=CC=C21)CC)C(=S)NC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations