Geometry & MOs

Info

ID:	178463
PubChem CID:	76333143
Reduced:	O2C19H30 (1)
Stoich.:	A2B19C30 (1)
Weight, g/mol:	343.108754
ΔH_f, kcal/mol:	-141.33
Dipole, Da:	2.68
IP(EA), eV:	-9.9(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(7-chloroquinolin-4-yl)amino]-2-[(2-hydroxyethylamino)methyl]phenol

Drug info:

PubChemData

Smile

CC12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CCC4([C@H]3CC[C@@H]4O)C

DOS

IR

Vibrations