Geometry & MOs

Info

ID:	308313
PubChem CID:	125326103
Reduced:	O4N5C23H23 (1)
Stoich.:	A4B5C23D23 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	31.79
Dipole, Da:	7.54
IP(EA), eV:	-9.42(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-2-[(2S)-2-methyl-2H-indol-3-yl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CC(C)(C=C)[C@]12C=C(C(=O)N\3[C@]1(NC(=O)/C3=C\C4=NC=NC4)N(C5=CC=CC=C25)OC)O

DOS

IR

Vibrations