Geometry & MOs

Info

ID:	439037
PubChem CID:	135228800
Reduced:	ON4C27H34 (1)
Stoich.:	AB4C27D34 (1)
Weight, g/mol:	444.285072
ΔH_f, kcal/mol:	5.29
Dipole, Da:	5.04
IP(EA), eV:	-8.57(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N/C(=C\C(=O)/C(=C\C)/C(=C)C)/C2=C1)C(C)(C)C)C3=CN=C(N=C3)N

DOS

IR

Vibrations