Geometry & MOs

Info

ID:	274375
PubChem CID:	103808862
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	16.28
Dipole, Da:	3.99
IP(EA), eV:	-9.06(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C(=O)NC2=CC=C(C=C2)CN3C=CC=N3

DOS

IR

Vibrations