Geometry & MOs

Info

ID:	334009
PubChem CID:	127252561
Reduced:	N5O7C24H25 (1)
Stoich.:	A5B7C24D25 (1)
Weight, g/mol:	345.184112
ΔH_f, kcal/mol:	-170.73
Dipole, Da:	13.45
IP(EA), eV:	-8.8(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indol-3-yl)-N-(2-indol-1-ylethyl)butanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)[C@@H](NC2=O)CC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=C(C(=O)N5C4)[N+](=O)[O-]

DOS

IR

Vibrations