Geometry & MOs

Info

ID:	274972
PubChem CID:	103812931
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	1.68
IP(EA), eV:	-9.51(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNC(=O)C(CN)C2=CC=CC=C2

DOS

IR

Vibrations