Geometry & MOs

Info

ID:	180727
PubChem CID:	76675758
Reduced:	ClSO2N8H25C27 (1)
Stoich.:	ABC2D8E25F27 (1)
Weight, g/mol:	391.08414
ΔH_f, kcal/mol:	39.0
Dipole, Da:	3.33
IP(EA), eV:	-8.64(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

ethylbenzene;N-(3-ethylphenyl)-4H-pyridin-4-id-2-amine;yttrium

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)NC2=C3CCC4=CC(=CC=C4)NC5=NC=C(C(=N5)NC(=C3)C=C2)Cl)C(=O)C6=NC=CS6

DOS

IR

Vibrations