Geometry & MOs

Info

ID:	401050
PubChem CID:	135049920
Reduced:	NSO3H25C26 (1)
Stoich.:	ABC3D25E26 (1)
Weight, g/mol:	140.131349
ΔH_f, kcal/mol:	-48.33
Dipole, Da:	2.77
IP(EA), eV:	-8.87(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methyl-N-[(Z)-propylideneamino]butan-1-imine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C=CN(C(=O)C2S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4

DOS

IR

Vibrations