Geometry & MOs

Info

ID:	271032
PubChem CID:	103640731
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-15.49
Dipole, Da:	5.37
IP(EA), eV:	-8.31(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(=O)NCCNCC1=CC=CC2=C1NC=C2

DOS

IR

Vibrations