Geometry & MOs

Info

ID:	439747
PubChem CID:	135229567
Reduced:	OS2N7C31H39 (1)
Stoich.:	AB2C7D31E39 (1)
Weight, g/mol:	173.120449
ΔH_f, kcal/mol:	113.89
Dipole, Da:	5.61
IP(EA), eV:	-8.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-methyl-1-(4-methylphenyl)but-2-en-1-imine

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NNC3=CC=C(CC32)NCOCC(=C)[C@H]4CCN(C4)CC(=S)C5CCN(CC5)C6=NC=CS6

DOS

IR

Vibrations