Geometry & MOs

Info

ID:	145321
PubChem CID:	53499934
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	348.173231
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	4.95
IP(EA), eV:	-8.44(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=CN=C(C=C3)OC

DOS

IR

Vibrations