Geometry & MOs

Info

ID:	331217
PubChem CID:	127248624
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	392.196074
ΔH_f, kcal/mol:	-17.95
Dipole, Da:	5.43
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-(2-aminopyridin-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC(=O)N2CCC(C2)C3=NC=NC=C3C4=CC(=NC=C4)N

DOS

IR

Vibrations