Geometry & MOs

Info

ID:	223974
PubChem CID:	85336499
Reduced:	F2N3O4C20H27 (1)
Stoich.:	A2B3C4D20E27 (1)
Weight, g/mol:	415.248444
ΔH_f, kcal/mol:	-274.86
Dipole, Da:	3.51
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-4-N-(5-methylpyrazolidin-3-yl)-2-N-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCN(C(=O)C1)CCOC)NC(=O)CC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations