Geometry & MOs

Info

ID:	144372
PubChem CID:	53358133
Reduced:	OSN2C23H26 (1)
Stoich.:	ABC2D23E26 (1)
Weight, g/mol:	406.171499
ΔH_f, kcal/mol:	11.67
Dipole, Da:	4.38
IP(EA), eV:	-8.22(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(oxan-4-ylmethyl)indol-3-yl]-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone

Drug info:

PubChemData

Smile

CCCN1C(=C(C2=C1C=CC(=C2)C)C(=O)C3=CC4=C(N3CCC)SC=C4)C

DOS

IR

Vibrations