Geometry & MOs

Info

ID:	198554
PubChem CID:	79118757
Reduced:	ClN3C16H28 (1)
Stoich.:	AB3C16D28 (1)
Weight, g/mol:	284.200097
ΔH_f, kcal/mol:	-15.31
Dipole, Da:	4.43
IP(EA), eV:	-8.62(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(methylamino)cyclohexyl]amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CCCC1(CCCCCN1)CC2=C(C(=NN2CC)C)Cl

DOS

IR

Vibrations