Geometry & MOs

Info

ID:	396569
PubChem CID:	135028786
Reduced:	NOSH17C21 (1)
Stoich.:	ABCD17E21 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	65.99
Dipole, Da:	6.9
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-7-methyl-14-propan-2-yl-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

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=S)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations