Geometry & MOs

Info

ID:	314775
PubChem CID:	126623043
Reduced:	BrFO3N7H25C27 (1)
Stoich.:	ABC3D7E25F27 (1)
Weight, g/mol:	304.99305
ΔH_f, kcal/mol:	-59.36
Dipole, Da:	7.23
IP(EA), eV:	-9.09(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(6-bromopyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)CN3C4=C(C=C(C=C4)C5=CN=C(N=C5)C)C(=N3)C(=O)C)F)Br

DOS

IR

Vibrations