Geometry & MOs

Info

ID:	331213
PubChem CID:	127248620
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	14.73
Dipole, Da:	4.96
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]pyrimidin-5-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N2CCC(C2)C3=NC=NC=C3C4=CC(=NC=C4)N

DOS

IR

Vibrations