Geometry & MOs

Info

ID:	331678
PubChem CID:	127249761
Reduced:	OSN6C23H24 (1)
Stoich.:	ABC6D23E24 (1)
Weight, g/mol:	414.216809
ΔH_f, kcal/mol:	83.87
Dipole, Da:	9.16
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethylpyrazol-3-yl)-6-[4-(quinolin-6-ylmethyl)morpholin-2-yl]pyridin-2-amine

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC2=CC=CC(=N2)C3CN(CCO3)CC4=CC5=C(C=C4)N=CC=C5

DOS

IR

Vibrations