Geometry & MOs

Info

ID:	156175
PubChem CID:	56369407
Reduced:	BrClON5C16H17 (1)
Stoich.:	ABCD5E16F17 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	19.21
Dipole, Da:	3.73
IP(EA), eV:	-9.14(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-benzyl-2-hydroxybenzoyl)piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2CCN(CC2)C(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations