Geometry & MOs

Info

ID:	390705
PubChem CID:	135000436
Reduced:	ClNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	554.175892
ΔH_f, kcal/mol:	-55.46
Dipole, Da:	5.24
IP(EA), eV:	-9.65(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC[C@@H](C(=O)CC1)[C@H](C[N+](=O)[O-])C2=CC=C(C=C2)Cl

DOS

IR

Vibrations