Geometry & MOs

Info

ID:	37840
PubChem CID:	8025037
Reduced:	NOC12H22 (1)
Stoich.:	ABC12D22 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-0.61
Dipole, Da:	2.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754823
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methoxypropan-1-amine

Drug info:

PubChemData

Smile

COCCC[NH2+]C[C@H]1C[C@H]2C[C@H]1C=C2

DOS

IR

Vibrations