Geometry & MOs

Info

ID:	206523
PubChem CID:	80264207
Reduced:	ClNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	289.251798
ΔH_f, kcal/mol:	-97.46
Dipole, Da:	4.17
IP(EA), eV:	-9.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-1-N,4,4-trimethyl-2-N-[(6-methylpyridin-2-yl)methyl]cyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)C(C3(CCCC3)C)Cl)OC1=O

DOS

IR

Vibrations