Geometry & MOs

Info

ID:	191835
PubChem CID:	78192462
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	338.187339
ΔH_f, kcal/mol:	-35.14
Dipole, Da:	2.14
IP(EA), eV:	-8.85(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-cyclopropyl-10-prop-2-enyl-2,4,5,10-tetrazatricyclo[9.4.0.03,8]pentadecan-9-one

Drug info:

PubChemData

Smile

CCC1C(NC(=O)C(C1CC2=CN=CC=C2)N(C)C)C

DOS

IR

Vibrations