Geometry & MOs

Info

ID:	333095
PubChem CID:	127251519
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	4.25
IP(EA), eV:	-9.2(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[2-[4-[(3-methoxyphenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CN(C)C)CC3=CC=CC=C3

DOS

IR

Vibrations