Geometry & MOs

Info

ID:	217690
PubChem CID:	85088226
Reduced:	NO2C26H31 (1)
Stoich.:	AB2C26D31 (1)
Weight, g/mol:	389.267842
ΔH_f, kcal/mol:	-34.55
Dipole, Da:	1.59
IP(EA), eV:	-8.78(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[3,4-dihydroxy-1-(1H-indol-3-yl)-6-methylheptan-2-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

COC(=O)C1CC=CCC12CCCN(C2)CC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations