Geometry & MOs

Info

ID:	333323
PubChem CID:	127251875
Reduced:	FON5C24H32 (1)
Stoich.:	ABC5D24E32 (1)
Weight, g/mol:	393.252861
ΔH_f, kcal/mol:	-57.93
Dipole, Da:	5.21
IP(EA), eV:	-8.89(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenyl)-1-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CCCC(=O)N2CCC(C2)C3=NC4=C(CN(CC4)C)C(=N3)NC)F

DOS

IR

Vibrations