Geometry & MOs

Info

ID:	273839
PubChem CID:	103805314
Reduced:	BrOF2N2H9C13 (1)
Stoich.:	ABC2D2E9F13 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-79.18
Dipole, Da:	5.13
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl(phenylmethoxycarbonyl)amino]-1,5-dimethylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)N)F)Br)F

DOS

IR

Vibrations