Geometry & MOs

Info

ID:	335753
PubChem CID:	127254615
Reduced:	Cl2N2O3C25H35 (2)
Stoich.:	A2B2C3D25E35 (2)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-350.03
Dipole, Da:	3.08
IP(EA), eV:	-8.51(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1H-pyrazol-4-yl)-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(COC(=O)CCCCCCCCC(=O)OCC(CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)O)O)C(C5=CC=CC=C5)C6=CC=CC=C6.Cl.Cl.Cl.Cl

DOS

IR

Vibrations