Geometry & MOs

Info

ID:	184264
PubChem CID:	77137071
Reduced:	FISO3N8C30H32 (1)
Stoich.:	ABCD3E8F30G32 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	0.24
Dipole, Da:	20.68
IP(EA), eV:	-7.89(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;2-hydroxy-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[N+](CC4)(C)C)F)C5=NC(=NN5)SCC6=NN=C(O6)C7=CC=C(C=C7)C.[I-]

DOS

IR

Vibrations