Geometry & MOs

Info

ID:	445694
PubChem CID:	135268969
Reduced:	N3C22H31 (1)
Stoich.:	A3B22C31 (1)
Weight, g/mol:	187.1361
ΔH_f, kcal/mol:	41.43
Dipole, Da:	2.98
IP(EA), eV:	-8.23(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]-3H-pyrrole

Drug info:

PubChemData

Smile

CCCC1=NC(=C(N1CC2=CC=CC=C2)C(=C)N(CCC)C(=C)C)C

DOS

IR

Vibrations