Geometry & MOs

Info

ID:	360645
PubChem CID:	127301290
Reduced:	N2O3C18H30 (1)
Stoich.:	A2B3C18D30 (1)
Weight, g/mol:	367.156577
ΔH_f, kcal/mol:	-172.31
Dipole, Da:	3.66
IP(EA), eV:	-9.34(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(hydroxymethyl)oxan-4-yl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COCCC1(CO)NCC(=O)NC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations