Geometry & MOs

Info

ID:	441713
PubChem CID:	135241654
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	415.178358
ΔH_f, kcal/mol:	-33.22
Dipole, Da:	4.22
IP(EA), eV:	-9.69(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]methylamino]-2-phenylmethoxybenzoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CN=C(C=C2)CO

DOS

IR

Vibrations