Geometry & MOs

Info

ID:	163322
PubChem CID:	57742070
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-153.92
Dipole, Da:	2.1
IP(EA), eV:	-9.0(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-benzylpiperazin-1-yl]-[1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1(COC2=C(NC1=O)N=CC(=C2)/C=C/C(=O)OC(C)(C)C)C

DOS

IR

Vibrations