Geometry & MOs

Info

ID:	213147
PubChem CID:	81063019
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	260.116092
ΔH_f, kcal/mol:	-117.07
Dipole, Da:	3.19
IP(EA), eV:	-9.48(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indole-7-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C(=O)NCC(C)CC(=O)O)C

DOS

IR

Vibrations