Geometry & MOs

Info

ID:	271041
PubChem CID:	103641055
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-0.51
Dipole, Da:	3.72
IP(EA), eV:	-8.91(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CNCCC2=CC(=CC=C2)OC

DOS

IR

Vibrations