Geometry & MOs

Info

ID:	313367
PubChem CID:	126614126
Reduced:	SCl3N6O7C37H45 (1)
Stoich.:	AB3C6D7E37F45 (1)
Weight, g/mol:	213.24565
ΔH_f, kcal/mol:	-254.25
Dipole, Da:	2.02
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-3,6,7,7-tetramethyloctan-3-amine

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C=CC(=C2)/C=C/C(C)(C)C(=O)NC(C(C)C)C(=O)NC(CC3=CSC=N3)C(=O)N4CCCC(N4)C(=O)OCC(Cl)(Cl)Cl)C=C1)OC(=O)C

DOS

IR

Vibrations