Geometry & MOs

Info

ID:	43473
PubChem CID:	10321354
Reduced:	O5C28H30 (1)
Stoich.:	A5B28C30 (1)
Weight, g/mol:	446.220557
ΔH_f, kcal/mol:	-87.59
Dipole, Da:	2.44
IP(EA), eV:	-9.4(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[3-[3-(dimethylamino)propyl]-4-methoxybenzoyl]amino]phenyl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

C#C[C@H]([C@H]([C@@H]([C@@H](COCC1=CC=CC=C1)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O

DOS

IR

Vibrations