Geometry & MOs

Info

ID:	441062
PubChem CID:	135232977
Reduced:	SN3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	319.262363
ΔH_f, kcal/mol:	71.05
Dipole, Da:	3.92
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2Z,4Z,6E)-1,3-diamino-4,6-ditert-butylnona-2,4,6-trienylidene]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CN=C(S1)/C(=C/C=C\CN)/N=C

DOS

IR

Vibrations