Geometry & MOs

Info

ID:	48407
PubChem CID:	10545092
Reduced:	O6H16C19 (1)
Stoich.:	A6B16C19 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	-200.55
Dipole, Da:	8.19
IP(EA), eV:	-9.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(1-methylimidazol-2-yl)methyl]phenol

Drug info:

PubChemData

Smile

COC1=CC(=C2C(=C1)C=C(OC2=O)C(CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations