Geometry & MOs

Info

ID:	446584
PubChem CID:	135276216
Reduced:	SN6C16H22 (1)
Stoich.:	AB6C16D22 (1)
Weight, g/mol:	511.327088
ΔH_f, kcal/mol:	71.25
Dipole, Da:	3.88
IP(EA), eV:	-8.43(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)SC)N=C2NCCCC(C)N

DOS

IR

Vibrations