Geometry & MOs

Info

ID:	281682
PubChem CID:	103914213
Reduced:	N3O3C12H25 (1)
Stoich.:	A3B3C12D25 (1)
Weight, g/mol:	314.13972
ΔH_f, kcal/mol:	-150.58
Dipole, Da:	3.09
IP(EA), eV:	-9.03(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(CN1CCOCC1)O

DOS

IR

Vibrations