Geometry & MOs

Info

ID:	356542
PubChem CID:	127291764
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	365.231456
ΔH_f, kcal/mol:	-74.71
Dipole, Da:	4.0
IP(EA), eV:	-8.7(-0.54)
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-(oxan-2-ylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=C(OC2=C(C=C1)C)C(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C)C

DOS

IR

Vibrations