Geometry & MOs

Info

ID:	417228
PubChem CID:	135091741
Reduced:	ClO2N4C15H15 (1)
Stoich.:	AB2C4D15E15 (1)
Weight, g/mol:	352.262697
ΔH_f, kcal/mol:	-21.48
Dipole, Da:	3.76
IP(EA), eV:	-9.04(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7,8-trimethyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]quinolin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N2)C(=O)N(CCO)CC3=NC=CN3)Cl

DOS

IR

Vibrations