Geometry & MOs

Info

ID:	419906
PubChem CID:	135109692
Reduced:	ClN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	359.16452
ΔH_f, kcal/mol:	37.92
Dipole, Da:	5.15
IP(EA), eV:	-9.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CCNC2=NC(=NC=C2Cl)C)C

DOS

IR

Vibrations