Geometry & MOs

Info

ID:	128056
PubChem CID:	51028960
Reduced:	NOC16H24 (1)
Stoich.:	ABC16D24 (1)
Weight, g/mol:	246.185789
ΔH_f, kcal/mol:	-0.11
Dipole, Da:	1.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755702
Charge, e:	1

Chem-info

IUPAC name:

[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-[2-(4-methoxyphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC[NH2+][C@@H]2C[C@@H]3CC[C@H]2C3

DOS

IR

Vibrations