Geometry & MOs

Info

ID:	331748
PubChem CID:	127250032
Reduced:	F2O2N4C23H26 (1)
Stoich.:	A2B2C4D23E26 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-108.34
Dipole, Da:	3.57
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(4-ethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NN(CC1)CCC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=C(C=CC=C4F)F

DOS

IR

Vibrations