Geometry & MOs

Info

ID:	177053
PubChem CID:	76131217
Reduced:	PN4O6C19H39 (1)
Stoich.:	AB4C6D19E39 (1)
Weight, g/mol:	419.242021
ΔH_f, kcal/mol:	-375.87
Dipole, Da:	4.28
IP(EA), eV:	-9.58(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(6-hydroxyhexylamino)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(CCC)C(=O)N(C)C(C)P(=O)(O)O)NC(=O)C(CC(C)C)N

DOS

IR

Vibrations