Geometry & MOs

Info

ID:	346168
PubChem CID:	127270656
Reduced:	ON6C16H26 (1)
Stoich.:	AB6C16D26 (1)
Weight, g/mol:	399.194026
ΔH_f, kcal/mol:	23.51
Dipole, Da:	3.12
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)N1CCN(CC1)C2=NC=CN=C2)C3CC3

DOS

IR

Vibrations