Geometry & MOs

Info

ID:	364608
PubChem CID:	127315860
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-32.09
Dipole, Da:	5.25
IP(EA), eV:	-8.92(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N(C)C2C3CC4CC(C3)CC2C4)C

DOS

IR

Vibrations