Geometry & MOs

Info

ID:	43408
PubChem CID:	10321248
Reduced:	N2O5C25H36 (1)
Stoich.:	A2B5C25D36 (1)
Weight, g/mol:	444.252526
ΔH_f, kcal/mol:	-183.88
Dipole, Da:	3.96
IP(EA), eV:	-8.62(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[1-methyl-2-(2-morpholin-4-ylethyl)-5-oxo-3-propylpyrazol-4-yl]methyl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C3CC4=C(C=CC=C4OC)OC3

DOS

IR

Vibrations