Geometry & MOs

Info

ID:	308878
PubChem CID:	126531727
Reduced:	SO2N7H21C27 (1)
Stoich.:	AB2C7D21E27 (1)
Weight, g/mol:	418.156039
ΔH_f, kcal/mol:	129.2
Dipole, Da:	2.83
IP(EA), eV:	-8.78(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-chloro-4-(1-pyrimidin-4-ylethylamino)quinolin-6-yl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC=C(S6)C(=O)C

DOS

IR

Vibrations