Geometry & MOs

Info

ID:	397402
PubChem CID:	135030167
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	506.329714
ΔH_f, kcal/mol:	-59.93
Dipole, Da:	3.39
IP(EA), eV:	-10.06(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[4-[[methyl(pyridin-4-yl)amino]methyl]phenyl]-8-phenyldecan-2-yl]phenol

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C2=NC=C(C=C2)C(=O)N

DOS

IR

Vibrations