Geometry & MOs

Info

ID:	344324
PubChem CID:	127267500
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	9.82
Dipole, Da:	3.85
IP(EA), eV:	-9.29(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-(3-oxopiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(=C)CN(CC1=CC=CC=C1)C(=O)C2=CN(N=N2)[C@@H]3CC[C@H]3O

DOS

IR

Vibrations