Geometry & MOs

Info

ID:	124443
PubChem CID:	50883836
Reduced:	ClOSN2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	328.097855
ΔH_f, kcal/mol:	34.38
Dipole, Da:	1.47
IP(EA), eV:	-8.4(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-4-methylaniline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N/N=C/2\C(=O)C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations