Geometry & MOs

Info

ID:	305730
PubChem CID:	124967116
Reduced:	SN7C18H21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	109.91
Dipole, Da:	4.6
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-imidazol-5-yl)-1-[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=NC=CN=C2[C@@H]3CCCN3CC4=CN=CS4)C

DOS

IR

Vibrations