Geometry & MOs

Info

ID:	281359
PubChem CID:	103913757
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	226.146999
ΔH_f, kcal/mol:	-43.3
Dipole, Da:	3.81
IP(EA), eV:	-9.25(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(3-methylpyridin-2-yl)methyl]-1-phenylethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NCC(C)CO

DOS

IR

Vibrations