Geometry & MOs

Info

ID:	306374
PubChem CID:	125011492
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	-90.08
Dipole, Da:	5.26
IP(EA), eV:	-9.07(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-(1H-imidazol-5-ylmethyl)-2-(4-methoxyphenyl)-1-methylpiperazine

Drug info:

PubChemData

Smile

CC(=O)N1CC2(CCN(CC2)CC3=CC=CC=N3)C[C@H](C1(C)C)O

DOS

IR

Vibrations