Geometry & MOs

Info

ID:	333065
PubChem CID:	127251489
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	433.247775
ΔH_f, kcal/mol:	-13.96
Dipole, Da:	3.38
IP(EA), eV:	-9.45(-0.13)
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-methyl-4-[(4-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCN3C(=NC(=N3)C)C)CC4=CC=CC=C4

DOS

IR

Vibrations