Geometry & MOs

Info

ID:	361485
PubChem CID:	127303622
Reduced:	N3O3C18H29 (1)
Stoich.:	A3B3C18D29 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-128.66
Dipole, Da:	2.95
IP(EA), eV:	-9.06(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CCC3CCCCO3)C

DOS

IR

Vibrations