Geometry & MOs

Info

ID:	364773
PubChem CID:	127316111
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-45.98
Dipole, Da:	4.0
IP(EA), eV:	-8.76(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2(CCCC2)C(=O)N3CCN(CC3)CC4=NC=CN4)OC

DOS

IR

Vibrations