Geometry & MOs

Info

ID:	390070
PubChem CID:	134996929
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	306.173213
ΔH_f, kcal/mol:	-29.59
Dipole, Da:	4.96
IP(EA), eV:	-9.17(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-(cyclopropylmethyl)-8-oxo-16-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2(7),3,5-triene-4-carbonitrile

Drug info:

PubChemData

Smile

COCCN1CC23CCCCC2C1C(=O)C4=C3C=C(C=C4)C#N

DOS

IR

Vibrations