Geometry & MOs

Info

ID:	446603
PubChem CID:	135276315
Reduced:	O4N7C27H41 (1)
Stoich.:	A4B7C27D41 (1)
Weight, g/mol:	496.145771
ΔH_f, kcal/mol:	-131.39
Dipole, Da:	5.38
IP(EA), eV:	-8.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3,3,4,4,4-heptafluoro-N-[4-[(7-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]butanamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=C(C=C3)OCCOC)N=C2NCCCCNC(=O)[C@H](C(C)C)NC(=O)C(C)(C)C

DOS

IR

Vibrations