Geometry & MOs

Info

ID:	305798
PubChem CID:	124969662
Reduced:	N2O5C18H20 (1)
Stoich.:	A2B5C18D20 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-155.32
Dipole, Da:	6.78
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenyl)-1-[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@]1(CN(CCO1)CC2=CC=C(O2)C3=CC=CC=C3C(=O)O)C(=O)N

DOS

IR

Vibrations