Geometry & MOs

Info

ID:	175076
PubChem CID:	75851904
Reduced:	ClO3N6C22H24 (1)
Stoich.:	AB3C6D22E24 (1)
Weight, g/mol:	362.235814
ΔH_f, kcal/mol:	39.83
Dipole, Da:	8.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.987299
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCCCN(CC)C(=O)CN1C(=O)[NH+]2C=CC=C(C2=N1)C3=NC(=NO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations