Geometry & MOs

Info

ID:	37066
PubChem CID:	8016477
Reduced:	N2O2H14C23 (1)
Stoich.:	A2B2C14D23 (1)
Weight, g/mol:	402.121572
ΔH_f, kcal/mol:	37.87
Dipole, Da:	2.53
IP(EA), eV:	-8.78(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16,17-dimethoxy-5-(2-oxopropoxy)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14,16-nonaen-19-one

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CN=C3C4=CC=CC=C4C(=O)N5C3=C2C6=CC=CC=C65

DOS

IR

Vibrations