Geometry & MOs

Info

ID:	357848
PubChem CID:	127294691
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	349.247775
ΔH_f, kcal/mol:	-99.84
Dipole, Da:	3.08
IP(EA), eV:	-9.46(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(4-ethylpiperazin-1-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCNC(=O)N2CCC(CC2)N3CCCC3=O

DOS

IR

Vibrations