Geometry & MOs

Info

ID:	418022
PubChem CID:	135103325
Reduced:	N5C22H25 (1)
Stoich.:	A5B22C25 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	84.09
Dipole, Da:	3.77
IP(EA), eV:	-9.13(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethylpyrazol-4-yl)-2-[methyl(quinoxalin-2-ylmethyl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CC=C(C=C4)N5C=CN=C5

DOS

IR

Vibrations