Geometry & MOs

Info

ID:	224063
PubChem CID:	85337727
Reduced:	O4N5C31H31 (1)
Stoich.:	A4B5C31D31 (1)
Weight, g/mol:	411.151767
ΔH_f, kcal/mol:	-96.06
Dipole, Da:	6.58
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]thiophene-3-carboximidamide

Drug info:

PubChemData

Smile

CC(=O)OC12CCCC(C1)CC(C2)C(=O)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)C(=O)NC6=CC=CC=N6

DOS

IR

Vibrations