Geometry & MOs

Info

ID:	227264
PubChem CID:	87560939
Reduced:	ClO2N3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	221.993988
ΔH_f, kcal/mol:	-36.3
Dipole, Da:	4.3
IP(EA), eV:	-9.11(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=NC(=NC3=C2OC=C3)Cl)CO

DOS

IR

Vibrations