Geometry & MOs

Info

ID:	393572
PubChem CID:	135021057
Reduced:	NSC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	99.15
Dipole, Da:	2.22
IP(EA), eV:	-8.28(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)ethyl N-[(2S)-2,3-dihydroxypropyl]carbamate

Drug info:

PubChemData

Smile

CCCCN1C2C=CC=CC2SC3=CC=CC=C31

DOS

IR

Vibrations