Geometry & MOs

Info

ID:	352350
PubChem CID:	127283434
Reduced:	O3N4C19H30 (1)
Stoich.:	A3B4C19D30 (1)
Weight, g/mol:	365.163394
ΔH_f, kcal/mol:	-123.6
Dipole, Da:	1.8
IP(EA), eV:	-9.14(0.16)
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]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3CCCN3C(=O)C(C)C)C

DOS

IR

Vibrations