Geometry & MOs

Info

ID:	16327
PubChem CID:	464545
Reduced:	ON4H18C21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	342.148061
ΔH_f, kcal/mol:	78.02
Dipole, Da:	3.09
IP(EA), eV:	-8.88(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-2-cyclopropyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

C1CC1N2C3=C(C=CC=N3)C(=O)NC4=C(C=CN=C42)CC5=CC=CC=C5

DOS

IR

Vibrations