Geometry & MOs

Info

ID:	354458
PubChem CID:	127286902
Reduced:	O3N4C16H24 (1)
Stoich.:	A3B4C16D24 (1)
Weight, g/mol:	363.263425
ΔH_f, kcal/mol:	-100.25
Dipole, Da:	7.08
IP(EA), eV:	-9.49(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations