Geometry & MOs

Info

ID:	342474
PubChem CID:	127265629
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	2.04
IP(EA), eV:	-8.48(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(2-methoxyphenyl)prop-2-enyl]piperazin-1-yl]-(oxolan-2-yl)methanone

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)OC)CN2CCC(CC2)C(=O)OC

DOS

IR

Vibrations