Geometry & MOs

Info

ID:	320538
PubChem CID:	126661687
Reduced:	N3O4C16H21 (1)
Stoich.:	A3B4C16D21 (1)
Weight, g/mol:	188.131349
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	6.76
IP(EA), eV:	-8.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-2-methyl-N-[(1Z)-1-pyrrol-3-ylideneethyl]penta-1,3-dien-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N=CC1CCN(C1)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations