Geometry & MOs

Info

ID:	352370
PubChem CID:	127283457
Reduced:	O3N4C17H24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-59.62
Dipole, Da:	4.9
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(2-methylindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C)C

DOS

IR

Vibrations