Geometry & MOs

Info

ID:	146784
PubChem CID:	53749435
Reduced:	O2C31H60 (1)
Stoich.:	A2B31C60 (1)
Weight, g/mol:	287.145619
ΔH_f, kcal/mol:	-214.18
Dipole, Da:	2.18
IP(EA), eV:	-9.52(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)propylsulfanyl]-N-phenylpyridin-2-amine

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCC(CCCCCCCCCCC(C)C)C(=O)O

DOS

IR

Vibrations