Geometry & MOs

Info

ID:	131531
PubChem CID:	51222080
Reduced:	Cl2N3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-35.08
Dipole, Da:	9.29
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(4-nitroanilino)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1(CC1(Cl)Cl)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations