Geometry & MOs

Info

ID:	48445
PubChem CID:	10584665
Reduced:	NC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	212.225249
ΔH_f, kcal/mol:	41.77
Dipole, Da:	2.02
IP(EA), eV:	-8.6(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-ditert-butyl-5-methyl-1,3-diazinane

Drug info:

PubChemData

Smile

CC1=CC2=C(CCC(=C2)CC(C#N)N)C=C1

DOS

IR

Vibrations