Geometry & MOs

Info

ID:	418103
PubChem CID:	135103589
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-60.73
Dipole, Da:	5.19
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1CNCCC1C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations