Geometry & MOs

Info

ID:	367010
PubChem CID:	127322865
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	380.188212
ΔH_f, kcal/mol:	-30.29
Dipole, Da:	4.68
IP(EA), eV:	-8.71(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-tert-butylimidazol-2-yl)sulfanyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)N3CCCN(CC3)C

DOS

IR

Vibrations