Geometry & MOs

Info

ID:	330756
PubChem CID:	127248163
Reduced:	O2N3C26H29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	404.168225
ΔH_f, kcal/mol:	-19.29
Dipole, Da:	5.8
IP(EA), eV:	-9.21(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-methyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)pyridin-4-amine

Drug info:

PubChemData

Smile

CCN([C@H]1CCO[C@H](C1)C2=CC=C(C=C2)C3=CN=CN=C3)C(=O)CC4=CC=CC(=C4)C

DOS

IR

Vibrations