Geometry & MOs

Info

ID:	159907
PubChem CID:	57288878
Reduced:	N2O4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	282.064743
ΔH_f, kcal/mol:	-92.42
Dipole, Da:	6.49
IP(EA), eV:	-8.35(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1H-pyrazol-5-ylsulfonylamino)pyrimidin-2-yl]guanidine

Drug info:

PubChemData

Smile

CC(CCCCC(=O)NC1=CC=C(C=C1)OC)C2(C=CC=N2)CC3COC4=CC=CC=C4O3

DOS

IR

Vibrations