Geometry & MOs

Info

ID:	16357
PubChem CID:	465290
Reduced:	ClON3C19H26 (1)
Stoich.:	ABC3D19E26 (1)
Weight, g/mol:	347.17644
ΔH_f, kcal/mol:	-36.95
Dipole, Da:	2.55
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-10-(3-methylbut-2-enyl)-9-(2-methylpropyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one

Drug info:

PubChemData

Smile

CC(C)CC1C2=C3C(=CC(=C2)Cl)NC(=O)N3CCN1CC=C(C)C

DOS

IR

Vibrations