Geometry & MOs

Info

ID:	333319
PubChem CID:	127251871
Reduced:	ON6C26H36 (1)
Stoich.:	AB6C26D36 (1)
Weight, g/mol:	448.29506
ΔH_f, kcal/mol:	-8.3
Dipole, Da:	8.62
IP(EA), eV:	-8.06(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCC2=C1C=CC(=C2)CN3CCC4=C(C3)C(=NC(=N4)C5CCN(C5)C(=O)C)NC

DOS

IR

Vibrations