Geometry & MOs

Info

ID:	146089
PubChem CID:	53633711
Reduced:	NPO5C16H27 (1)
Stoich.:	ABC5D16E27 (1)
Weight, g/mol:	452.288637
ΔH_f, kcal/mol:	-215.11
Dipole, Da:	10.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770788
Charge, e:	0

Chem-info

IUPAC name:

7-amino-2,8-bis(2,4-dihydroxycyclohexyl)-1,2,4,4a,5a,6,7,8,9,9a,10,10a-dodecahydrophenoxazin-3-one

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=C(O1)C(=O)C=C[N+](C)(C)C(C)C)OCC

DOS

IR

Vibrations