Geometry & MOs

Info

ID:	29266
PubChem CID:	832726
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	2.3
IP(EA), eV:	-8.62(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC[C@H]2CCCO2

DOS

IR

Vibrations