Geometry & MOs

Info

ID:	333249
PubChem CID:	127251798
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-72.91
Dipole, Da:	5.48
IP(EA), eV:	-9.09(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethoxyphenyl)-[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)N1CCC2=C(C1)C(=NC(=N2)C3CCN(C3)C(=O)COC4=CC=CC=C4)NC

DOS

IR

Vibrations