Geometry & MOs

Info

ID:	449623
PubChem CID:	135300126
Reduced:	N4H11C15 (2)
Stoich.:	A4B11C15 (2)
Weight, g/mol:	161.120449
ΔH_f, kcal/mol:	246.88
Dipole, Da:	2.51
IP(EA), eV:	-8.77(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-but-2-en-2-yl]-2-ethenyl-5-methyl-1H-pyrrole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=CN=CC6=N5)C7=CN=CC=C7)N=C3

DOS

IR

Vibrations