Geometry & MOs

Info

ID:	391643
PubChem CID:	135007659
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	389.246713
ΔH_f, kcal/mol:	-99.41
Dipole, Da:	2.9
IP(EA), eV:	-8.38(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(5-hex-5-enyl-2H-pyrrol-2-yl)methylidene]-3-methoxy-5-(5-pent-4-enyl-1H-pyrrol-2-yl)pyrrole

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)C2=CN(C(=C2)C)CC(OC)OC

DOS

IR

Vibrations