Geometry & MOs

Info

ID:	365708
PubChem CID:	127318433
Reduced:	N3O3C19H31 (1)
Stoich.:	A3B3C19D31 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-139.34
Dipole, Da:	4.9
IP(EA), eV:	-9.0(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)C3CC4CCC3O4

DOS

IR

Vibrations