Geometry & MOs

Info

ID:	310879
PubChem CID:	126588348
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	328.134241
ΔH_f, kcal/mol:	-57.11
Dipole, Da:	3.61
IP(EA), eV:	-8.7(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-amino-N-methyl-3-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]prop-2-enimidoyl chloride

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)OC)COC2=C(C=C(C=C2)C3=NN(C(=C3)Cl)C)C

DOS

IR

Vibrations