Geometry & MOs

Info

ID:	331829
PubChem CID:	127250115
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	449.24269
ΔH_f, kcal/mol:	-5.32
Dipole, Da:	5.65
IP(EA), eV:	-9.45(-0.3)
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]-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NNC(=N1)CC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations