Geometry & MOs

Info

ID:	371929
PubChem CID:	131280661
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	240.022104
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	5.89
IP(EA), eV:	-9.96(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(R)-amino(cyclopropyl)methyl]-3,5-dichlorobenzonitrile

Drug info:

PubChemData

Smile

C1CC2=C([C@@H]1N)C=C(C=C2[N+](=O)[O-])CO

DOS

IR

Vibrations