Geometry & MOs

Info

ID:	20338
PubChem CID:	583205
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-116.49
Dipole, Da:	4.84
IP(EA), eV:	-9.22(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-hydroxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-14-one

Drug info:

PubChemData

Smile

CC1C2C(C(CC3N2CCC4=CC=CC=C34)O)C(=O)O1

DOS

IR

Vibrations