Geometry & MOs

Info

ID:	176805
PubChem CID:	76101745
Reduced:	NO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	251.105862
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	3.65
IP(EA), eV:	-8.68(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),13-hexaen-9-one

Drug info:

PubChemData

Smile

CC(=O)CN1CCC23COCCC2C1CC4=C3C=C(C=C4)OC

DOS

IR

Vibrations