Geometry & MOs

Info

ID:	332413
PubChem CID:	127250699
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	59.86
Dipole, Da:	4.52
IP(EA), eV:	-8.52(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)ethoxy]phenyl]-[2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=CC=CC(=N3)C4=CN(N=C4)C

DOS

IR

Vibrations