Geometry & MOs

Info

ID:	331702
PubChem CID:	127249785
Reduced:	ON6H22C23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	414.216809
ΔH_f, kcal/mol:	92.56
Dipole, Da:	3.08
IP(EA), eV:	-8.91(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CC=NC3=CC=CC=C23)C4=NC(=CC=C4)NC5=NC=CC=N5

DOS

IR

Vibrations