Geometry & MOs

Info

ID:	141583
PubChem CID:	52897605
Reduced:	BrO2N5C15H18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	314.13789
ΔH_f, kcal/mol:	1.8
Dipole, Da:	5.66
IP(EA), eV:	-10.18(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-4-(pyridin-4-ylmethylimino)cyclobutane-1,2-dione

Drug info:

PubChemData

Smile

CC1(C[C@H](CCO1)NC(=O)C2=C(C=CC(=C2)Br)N3C=NN=N3)C

DOS

IR

Vibrations