Geometry & MOs

Info

ID:	164318
PubChem CID:	74382842
Reduced:	ClO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	442.259835
ΔH_f, kcal/mol:	-28.17
Dipole, Da:	5.77
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yloxy-3-(3-methoxypropoxy)-N-piperidin-3-yl-N-propan-2-ylbenzamide;hydrochloride

Drug info:

PubChemData

Smile

C1CC(NC1)CN2C=C(C3=C2C=C(C=C3)Cl)C(=O)N4CCC5(CC4)C6=C(CO5)C=CN=C6

DOS

IR

Vibrations