Geometry & MOs

Info

ID:	422927
PubChem CID:	135118625
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-147.14
Dipole, Da:	2.11
IP(EA), eV:	-9.07(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexyl]-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)CN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations