Geometry & MOs

Info

ID:	37042
PubChem CID:	8016360
Reduced:	NO2H9C11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	399.158292
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	1.71
IP(EA), eV:	-8.14(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)N3C4=C2C=CN=C4C5=C(C3=O)C(=C(C=C5)OC)OC

DOS

IR

Vibrations