Geometry & MOs

Info

ID:	325804
PubChem CID:	126685050
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	416.267508
ΔH_f, kcal/mol:	47.54
Dipole, Da:	2.37
IP(EA), eV:	-8.94(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-[[2-[(2-acetyl-3-oxobut-1-enyl)amino]ethylamino]methylidene]pentane-2,4-dione

Drug info:

PubChemData

Smile

CCC1(C2=C(C(C1(C)C)C)C(=NN2)C3=CC=CC=N3)C

DOS

IR

Vibrations