Geometry & MOs

Info

ID:	271037
PubChem CID:	103641051
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	16.05
Dipole, Da:	4.01
IP(EA), eV:	-8.29(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-imidazol-5-ylmethyl)-2-(3-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNCC2=CC=CC3=C2NC=C3

DOS

IR

Vibrations