Geometry & MOs

Info

ID:	272662
PubChem CID:	103750787
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-85.11
Dipole, Da:	3.77
IP(EA), eV:	-9.56(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(1-hydroxy-4-methylpentan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)NC(CCO)C(C)C

DOS

IR

Vibrations