Geometry & MOs

Info

ID:	159522
PubChem CID:	57288412
Reduced:	ClN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	321.048942
ΔH_f, kcal/mol:	-87.26
Dipole, Da:	3.82
IP(EA), eV:	-8.93(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC12CCC(CC1(ON=C2C3=CC=C(C=C3)Cl)N4CCCC4)C(=O)OC

DOS

IR

Vibrations