Geometry & MOs

Info

ID:	311455
PubChem CID:	126592914
Reduced:	ClO2N4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	307.119988
ΔH_f, kcal/mol:	7.42
Dipole, Da:	0.69
IP(EA), eV:	-9.06(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-N'-amino-2-[3-chloro-4-[(dimethylamino)methyl]benzoyl]-N-iminocyclopropane-1-carboximidamide

Drug info:

PubChemData

Smile

C1CC1C(C2=C(C=C(C=C2)C(=O)C[C@H]3C[C@@H]3/C(=N/N)/NN)Cl)O

DOS

IR

Vibrations