Geometry & MOs

Info

ID:	281250
PubChem CID:	103913596
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-5.79
Dipole, Da:	2.15
IP(EA), eV:	-9.14(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]-1-phenylethanamine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CNC(COC)C2=CC=CC=C2

DOS

IR

Vibrations