Geometry & MOs

Info

ID:	216040
PubChem CID:	85085618
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	-22.32
Dipole, Da:	3.75
IP(EA), eV:	-9.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC1=CC=CC=C1)[N+]#[C-]

DOS

IR

Vibrations