Geometry & MOs

Info

ID:	441134
PubChem CID:	135233259
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	415.181981
ΔH_f, kcal/mol:	-108.68
Dipole, Da:	4.06
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[5-[(2,2-difluorocyclopropyl)methylamino]-6-(methylamino)pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1,3-oxazol-2-yl)methanone

Drug info:

PubChemData

Smile

CCC(=O)/C(=C/C=C(/C(C)CC/C=C/NC)\OC=O)/C

DOS

IR

Vibrations