Geometry & MOs

Info

ID:	161713
PubChem CID:	57392408
Reduced:	ClO2N7C23H34 (1)
Stoich.:	AB2C7D23E34 (1)
Weight, g/mol:	383.151288
ΔH_f, kcal/mol:	-69.71
Dipole, Da:	9.17
IP(EA), eV:	-9.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminoquinoxalin-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=NC2=CC(=NN12)C(C)(C)C)C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N.Cl

DOS

IR

Vibrations