Geometry & MOs

Info

ID:	298394
PubChem CID:	117649083
Reduced:	O3N7C24H33 (1)
Stoich.:	A3B7C24D33 (1)
Weight, g/mol:	170.105528
ΔH_f, kcal/mol:	-98.33
Dipole, Da:	8.49
IP(EA), eV:	-8.39(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-methyl-4,4a,5,6,8,8a-hexahydro-3H-pyrido[4,3-e][1,3]oxazin-2-one

Drug info:

PubChemData

Smile

COC(=O)N1CCC(CC1)C2=CC=C(C=C2)NC3=NC(=CN=C3C(=O)N)N[C@@H]4CCCC[C@@H]4N

DOS

IR

Vibrations