Geometry & MOs

Info

ID:	420128
PubChem CID:	135111318
Reduced:	FN6O7C38H43 (1)
Stoich.:	AB6C7D38E43 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-228.17
Dipole, Da:	3.78
IP(EA), eV:	-9.08(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclopentyl-N-[(5-methoxy-1H-indol-2-yl)methyl]butanediamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](COC2=CC=C(C[C@@H](C(=O)N1)NC(=O)C3=CC(=CC(=C3)C#N)F)C=C2)CC4=CC=CC=C4)C(C)C)[C@@H](C)O

DOS

IR

Vibrations