Geometry & MOs

Info

ID:	395437
PubChem CID:	135025460
Reduced:	SiO5C22H34 (1)
Stoich.:	AB5C22D34 (1)
Weight, g/mol:	309.24565
ΔH_f, kcal/mol:	-270.26
Dipole, Da:	4.58
IP(EA), eV:	-8.68(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-[3-(4-methylphenyl)prop-2-ynyl]cyclohexanamine

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(CC(=O)CC(=O)C(C)(C)C(=O)OC)C1=CC=CC=C1

DOS

IR

Vibrations