Geometry & MOs

Info

ID:	197855
PubChem CID:	79007324
Reduced:	BrNCl2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	16.78
Dipole, Da:	2.54
IP(EA), eV:	-8.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-(1-phenylbutan-2-ylamino)butanoate

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)NC2=C(C=C(C=C2Cl)Br)Cl

DOS

IR

Vibrations