Geometry & MOs

Info

ID:	410482
PubChem CID:	135083280
Reduced:	OPN2C40H40 (1)
Stoich.:	ABC2D40E40 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	86.63
Dipole, Da:	2.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.050847
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxyamino)-3-[1-methyl-2-(2-methylbut-3-en-2-yl)indol-3-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N2C=C[N+](=C2)CC3=C4CCC(=C3)CCC5=C(C=C(CC4)C=C5)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations