Geometry & MOs

Info

ID:	71548
PubChem CID:	48415026
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-18.85
Dipole, Da:	3.73
IP(EA), eV:	-8.46(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)CCC#C

DOS

IR

Vibrations