Geometry & MOs

Info

ID:	441453
PubChem CID:	135234707
Reduced:	FO2N5H24C27 (1)
Stoich.:	AB2C5D24E27 (1)
Weight, g/mol:	331.200825
ΔH_f, kcal/mol:	18.46
Dipole, Da:	3.41
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]-3-methoxypropanamide

Drug info:

PubChemData

Smile

CC#CC(=O)N1CCC[C@H]1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)OCC5=CC=C(C=C5)F

DOS

IR

Vibrations