Geometry & MOs

Info

ID:	212435
PubChem CID:	81060537
Reduced:	ON3C15H23 (1)
Stoich.:	AB3C15D23 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-23.17
Dipole, Da:	4.4
IP(EA), eV:	-9.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC(CC)N(CCO)C1=C(C(=NC(=C1)C)C)C#N

DOS

IR

Vibrations