Geometry & MOs

Info

ID:	416569
PubChem CID:	135089694
Reduced:	FN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	373.21139
ΔH_f, kcal/mol:	-49.06
Dipole, Da:	3.68
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations