Geometry & MOs

Info

ID:	331737
PubChem CID:	127250021
Reduced:	FO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-50.97
Dipole, Da:	4.24
IP(EA), eV:	-9.49(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CCC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations