Geometry & MOs

Info

ID:	283193
PubChem CID:	103963187
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	74.39
Dipole, Da:	5.69
IP(EA), eV:	-8.07(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-aminoquinolin-4-yl)amino]-4-methylcyclohexyl]methanol

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C)C2=C(C=NC3=CC=CC=C32)N

DOS

IR

Vibrations