Geometry & MOs

Info

ID:	333304
PubChem CID:	127251856
Reduced:	ON6C24H38 (1)
Stoich.:	AB6C24D38 (1)
Weight, g/mol:	435.174039
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	5.96
IP(EA), eV:	-8.57(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(=CC(N1)(C)C)CC(=O)N2CCC(C2)C3=NC4=C(CN(CC4)C)C(=N3)NC)C

DOS

IR

Vibrations