Geometry & MOs

Info

ID:	352167
PubChem CID:	127283235
Reduced:	ClO3N4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	291.20591
ΔH_f, kcal/mol:	-105.85
Dipole, Da:	4.69
IP(EA), eV:	-8.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[2-(3-methylmorpholin-4-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1COCCN1CCNC2=C(C=C(C=N2)C(=O)N3CCOCC3)Cl

DOS

IR

Vibrations