Geometry & MOs

Info

ID:	362362
PubChem CID:	127307453
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-65.6
Dipole, Da:	1.21
IP(EA), eV:	-8.5(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations