Geometry & MOs

Info

ID:	244583
PubChem CID:	99368072
Reduced:	O2N4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	405.09396
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	4.9
IP(EA), eV:	-8.64(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromophenoxy)-N-[(2-hydroxyphenyl)methyl]-N-propylbutanamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1O)C(=O)C2=CC(=NC3=C2C(=NN3C(C)(C)C)C)C(C)C

DOS

IR

Vibrations