Geometry & MOs

Info

ID:	211682
PubChem CID:	81049507
Reduced:	BrN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	289.063634
ΔH_f, kcal/mol:	-33.05
Dipole, Da:	4.16
IP(EA), eV:	-9.04(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dichlorophenyl)-N-(4-hydroxybutan-2-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)Br)NC(=O)C2=CC(=CN=C2)O

DOS

IR

Vibrations