Geometry & MOs

Info

ID:	315453
PubChem CID:	126626775
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	242.178299
ΔH_f, kcal/mol:	-31.03
Dipole, Da:	8.01
IP(EA), eV:	-8.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(benzylideneamino)methyl]cyclohexyl]-N-methylmethanimine

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=CC(=NC(=C2C=N)NC(C)C)C3=CC=CC=C3

DOS

IR

Vibrations