Geometry & MOs

Info

ID:	232177
PubChem CID:	87575648
Reduced:	ClO2N5C18H22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	190.925349
ΔH_f, kcal/mol:	-51.4
Dipole, Da:	6.92
IP(EA), eV:	-8.98(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=C(C(=NC=C1C)CN2C[C@@H](C3=C2N=C(N=C3Cl)N)CC(=O)O)C

DOS

IR

Vibrations