Geometry & MOs

Info

ID:	275991
PubChem CID:	103819791
Reduced:	ON2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	355.11469
ΔH_f, kcal/mol:	-13.84
Dipole, Da:	8.76
IP(EA), eV:	-9.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-N-(3-ethyl-2-hydroxypentyl)butanamide

Drug info:

PubChemData

Smile

C1CCN[C@@H](C1)C(=O)NC2=CC=C(C=C2)C3=NN=CO3

DOS

IR

Vibrations