Geometry & MOs

Info

ID:	169507
PubChem CID:	75113637
Reduced:	BN5O5C27H46 (1)
Stoich.:	AB5C5D27E46 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-325.48
Dipole, Da:	5.97
IP(EA), eV:	-9.18(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(1-prop-2-ynylindol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)N)N

DOS

IR

Vibrations