Geometry & MOs

Info

ID:	333270
PubChem CID:	127251822
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	386.188881
ΔH_f, kcal/mol:	-8.17
Dipole, Da:	8.23
IP(EA), eV:	-9.13(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=NC3=C(CN(CC3)C(=O)C4=CC=CC5=C4N=CC=C5)C(=N2)NC

DOS

IR

Vibrations