Geometry & MOs

Info

ID:	392971
PubChem CID:	135018733
Reduced:	OPN2H25C30 (1)
Stoich.:	ABC2D25E30 (1)
Weight, g/mol:	381.303165
ΔH_f, kcal/mol:	82.5
Dipole, Da:	0.2
IP(EA), eV:	-8.56(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-6,8-ditert-butyl-2,4-dihydro-1,3-benzoxazine

Drug info:

PubChemData

Smile

C1[C@@H](N=C(O1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC6=CC=CC=C6N5

DOS

IR

Vibrations