Geometry & MOs

Info

ID:	37065
PubChem CID:	8016474
Reduced:	NO2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	350.105528
ΔH_f, kcal/mol:	-88.36
Dipole, Da:	6.31
IP(EA), eV:	-9.06(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(5-methylfuran-2-yl)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-one

Drug info:

PubChemData

Smile

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC4=CN=CC=C4)C

DOS

IR

Vibrations