Geometry & MOs

Info

ID:	299215
PubChem CID:	117681099
Reduced:	N3O4C24H37 (1)
Stoich.:	A3B4C24D37 (1)
Weight, g/mol:	173.141579
ΔH_f, kcal/mol:	-205.12
Dipole, Da:	7.89
IP(EA), eV:	-9.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5R)-4-ethyl-2,2-dimethyl-1,3-dioxan-5-yl]methanamine

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](N(C1)CC(=O)[C@H](C23CC4CC(C2)CC(C4)(C3)O)NC(=O)OC(C)(C)C)C#N

DOS

IR

Vibrations