Geometry & MOs

Info

ID:	181630
PubChem CID:	76767561
Reduced:	N3O5H27C28 (1)
Stoich.:	A3B5C27D28 (1)
Weight, g/mol:	376.07864
ΔH_f, kcal/mol:	-57.67
Dipole, Da:	6.09
IP(EA), eV:	-8.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[1-[4-(4-bromophenyl)phenyl]ethylamino]-1-hydroxybutan-2-one

Drug info:

PubChemData

Smile

CC(C(C(=O)CO)NC(=O)C1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)NC(=O)CCCCC#N)O

DOS

IR

Vibrations