Geometry & MOs

Info

ID:	333382
PubChem CID:	127251934
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	419.179124
ΔH_f, kcal/mol:	-81.02
Dipole, Da:	8.26
IP(EA), eV:	-9.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCC(C2)C3=NC4=C(CCN(C4)C(=O)C)C(=N3)NC)OC

DOS

IR

Vibrations