Geometry & MOs

Info

ID:	312477
PubChem CID:	126605620
Reduced:	ClO2N8C23H23 (1)
Stoich.:	AB2C8D23E23 (1)
Weight, g/mol:	180.162649
ΔH_f, kcal/mol:	54.0
Dipole, Da:	5.26
IP(EA), eV:	-8.77(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-(5,5-dimethyl-2-methyliminocyclohexylidene)ethanamine

Drug info:

PubChemData

Smile

CC[C@H](C(=O)N1CC(C1)C#N)NC(=O)C2=CNC3=NC=C(N=C23)C(=N)C4=C(C=C(C=C4)Cl)NC

DOS

IR

Vibrations