Geometry & MOs

Info

ID:	370506
PubChem CID:	127339439
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	2.66
IP(EA), eV:	-8.87(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1)C(=O)N2CCCN(C3=CC=CC=C32)C

DOS

IR

Vibrations