Geometry & MOs

Info

ID:	371662
PubChem CID:	131270202
Reduced:	BrNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	264.02621
ΔH_f, kcal/mol:	-37.98
Dipole, Da:	4.11
IP(EA), eV:	-8.84(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(S)-amino(cyclobutyl)methyl]-2-bromobenzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C1=C(C=CC(=C1)OC)Br)N

DOS

IR

Vibrations