Geometry & MOs

Info

ID:	43376
PubChem CID:	10321196
Reduced:	SN3O4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	443.268511
ΔH_f, kcal/mol:	-114.98
Dipole, Da:	5.0
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CC(=O)N(C3=CC=CC=C3S2(=O)=O)CCN4CCCCC4

DOS

IR

Vibrations