Geometry & MOs

Info

ID:	194909
PubChem CID:	78607282
Reduced:	ClNO3C23H23 (1)
Stoich.:	ABC3D23E23 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	4.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.990551
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2-(2,4,6-trimethylanilino)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(C[NH2+]CC3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations