Geometry & MOs

Info

ID:	333308
PubChem CID:	127251860
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	419.179124
ΔH_f, kcal/mol:	-81.22
Dipole, Da:	5.99
IP(EA), eV:	-9.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]-N,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCC3=C(C2)C(=NC(=N3)C4CCN(C4)C(=O)C)NC)OC

DOS

IR

Vibrations