Geometry & MOs

Info

ID:	21325
PubChem CID:	587939
Reduced:	NOCl3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	371.061047
ΔH_f, kcal/mol:	-36.15
Dipole, Da:	3.76
IP(EA), eV:	-9.01(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,10-dichloro-N-(3-chloro-2-methylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C2C3C2CCC4C(C4(Cl)Cl)CC3

DOS

IR

Vibrations