Geometry & MOs

Info

ID:	370078
PubChem CID:	127337341
Reduced:	ON3C10H17 (2)
Stoich.:	AB3C10D17 (2)
Weight, g/mol:	381.27399
ΔH_f, kcal/mol:	-65.43
Dipole, Da:	6.55
IP(EA), eV:	-8.56(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NCC(C(C)C)N3CCOCC3

DOS

IR

Vibrations