Geometry & MOs

Info

ID:	30622
PubChem CID:	841582
Reduced:	NO6H17C18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-171.06
Dipole, Da:	2.86
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-4-(cyclopropanecarbonyl)-2,5-dimethylpiperazin-1-yl]-cyclopropylmethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC(=C(C=C2)O)OC)CC3=CC=CO3)O

DOS

IR

Vibrations