Geometry & MOs

Info

ID:	276008
PubChem CID:	103819888
Reduced:	BrNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	259.189592
ΔH_f, kcal/mol:	-107.56
Dipole, Da:	1.47
IP(EA), eV:	-9.55(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(carbamoylamino)-N-(2-hydroxy-4-methylpentyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CC(C)C1=CC=C(C=C1)Br)O

DOS

IR

Vibrations