Geometry & MOs

Info

ID:	167111
PubChem CID:	74782350
Reduced:	ON4C23H33 (1)
Stoich.:	AB4C23D33 (1)
Weight, g/mol:	388.191069
ΔH_f, kcal/mol:	20.37
Dipole, Da:	6.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996545
Charge, e:	0

Chem-info

IUPAC name:

7-butyl-N-(3-fluoro-4-methylphenyl)-1,3-dimethyl-2,4-dioxo-4a,7a-dihydropyrrolo[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C[NH+]2CCCC3(C2)CCN(C3)C(=O)C4=CC=NN4C

DOS

IR

Vibrations