Geometry & MOs

Info

ID:	278878
PubChem CID:	103839470
Reduced:	BrClNO2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	216.183778
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	2.07
IP(EA), eV:	-9.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbutanamide

Drug info:

PubChemData

Smile

CC1(CCOCC1)NC(=O)C2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations