Geometry & MOs

Info

ID:	18281
PubChem CID:	539353
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-119.27
Dipole, Da:	4.99
IP(EA), eV:	-8.85(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetyl-15-hydroxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C2=CC=CC=C2C34C15CCC6(C3N(CCC6O)CC4)CC5C(=O)OC

DOS

IR

Vibrations