Geometry & MOs

Info

ID:	331216
PubChem CID:	127248623
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	405.18009
ΔH_f, kcal/mol:	6.3
Dipole, Da:	2.93
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-(2-aminopyridin-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations