Geometry & MOs

Info

ID:	71173
PubChem CID:	48414396
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-66.96
Dipole, Da:	4.45
IP(EA), eV:	-8.6(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-phenyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N1CC(=O)NC(CN3CCOCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations