Geometry & MOs

Info

ID:	24600
PubChem CID:	611256
Reduced:	ON2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	330.173213
ΔH_f, kcal/mol:	10.27
Dipole, Da:	3.15
IP(EA), eV:	-8.26(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3CC(=O)N(C4C3=C2CCC4)CC5=CC=CC=C5

DOS

IR

Vibrations