Geometry & MOs

Info

ID:	240956
PubChem CID:	93618414
Reduced:	BrNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	323.03817
ΔH_f, kcal/mol:	-43.12
Dipole, Da:	5.32
IP(EA), eV:	-9.35(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(4-bromophenyl)propan-2-yl]-2-(tetrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=C(C=C1)Br)NC(=O)C

DOS

IR

Vibrations