Geometry & MOs

Info

ID:	332424
PubChem CID:	127250710
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	60.34
Dipole, Da:	3.88
IP(EA), eV:	-8.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-N-methylanilino)-1-[2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=CC=CC(=N3)C4=CN(N=C4)C

DOS

IR

Vibrations