Geometry & MOs

Info

ID:	149706
PubChem CID:	53789381
Reduced:	NOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	522.345758
ΔH_f, kcal/mol:	-55.07
Dipole, Da:	2.0
IP(EA), eV:	-7.99(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,18-di(butan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosane-6,8,17,19-tetrone

Drug info:

PubChemData

Smile

CC.CC1=CC(=CC(=C1O)C)N

DOS

IR

Vibrations