Geometry & MOs

Info

ID:	441142
PubChem CID:	135233285
Reduced:	O2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	298.204513
ΔH_f, kcal/mol:	-53.83
Dipole, Da:	3.64
IP(EA), eV:	-8.65(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-6-(methylamino)hex-5-en-2-yl]-3-methylidene-2-(2-methylpropanoyl)cyclohexa-1,5-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)CN1C2=C(N=C(C=C2)C3CCCN(C3)C(=O)C4=CC(=CC=C4)N)N(C1=O)C

DOS

IR

Vibrations