Geometry & MOs

Info

ID:	41869
PubChem CID:	8147473
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	399.122833
ΔH_f, kcal/mol:	-14.3
Dipole, Da:	10.46
IP(EA), eV:	-8.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-pyrrolidin-1-ylsulfonyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)CN3CCN(CC3)CC4=NC(=O)C5=C(N4)C6=CC=CC=C6O5

DOS

IR

Vibrations