Geometry & MOs

Info

ID:	271038
PubChem CID:	103641052
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	9.74
Dipole, Da:	5.29
IP(EA), eV:	-8.98(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNCC2=CN=CN2

DOS

IR

Vibrations