Geometry & MOs

Info

ID:	186974
PubChem CID:	77509745
Reduced:	N6O9C23H32 (1)
Stoich.:	A6B9C23D32 (1)
Weight, g/mol:	472.249271
ΔH_f, kcal/mol:	-347.46
Dipole, Da:	7.39
IP(EA), eV:	-9.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-[3-[[1-[(4-chlorophenyl)methyl]-2,5-dimethylpiperidin-4-yl]amino]propoxy]phenyl]propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N.C1=C(NC=N1)CC(C(=O)OCC(C(=O)O)N)N

DOS

IR

Vibrations