Geometry & MOs

Info

ID:	333399
PubChem CID:	127251951
Reduced:	SO4N5C21H27 (1)
Stoich.:	AB4C5D21E27 (1)
Weight, g/mol:	436.258674
ΔH_f, kcal/mol:	-109.99
Dipole, Da:	3.05
IP(EA), eV:	-9.29(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)N=C(N=C2NC)C3CCN(C3)S(=O)(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations