Geometry & MOs

Info

ID:	168429
PubChem CID:	74965953
Reduced:	ClN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	1524.719021
ΔH_f, kcal/mol:	-105.68
Dipole, Da:	5.73
IP(EA), eV:	-9.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C2CCCN2C(=O)C3=CC(=C(C=C3O)O)Cl)C

DOS

IR

Vibrations