Geometry & MOs

Info

ID:	446587
PubChem CID:	135276232
Reduced:	O2N6C21H32 (1)
Stoich.:	A2B6C21D32 (1)
Weight, g/mol:	441.248838
ΔH_f, kcal/mol:	-38.78
Dipole, Da:	7.55
IP(EA), eV:	-7.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl N-[4-[(1-methyl-7-morpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1OC)N=C(C(=N)N2C(=N)C)NCCCCNC(=O)C(C)(C)C

DOS

IR

Vibrations