Geometry & MOs

Info

ID:	297766
PubChem CID:	117629771
Reduced:	NO3C12H25 (1)
Stoich.:	AB3C12D25 (1)
Weight, g/mol:	404.172752
ΔH_f, kcal/mol:	-152.77
Dipole, Da:	11.89
IP(EA), eV:	-8.78(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[(Z)-C-aminocarbonohydrazonoyl]-7-chloroisoquinolin-1-yl]amino]-2-tert-butylpyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C)(C(C[N+](C)(C)C)O)C(=O)[O-]

DOS

IR

Vibrations