Geometry & MOs

Info

ID:	348406
PubChem CID:	127273499
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-117.06
Dipole, Da:	2.28
IP(EA), eV:	-8.85(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCNC(=O)[C@H]2COCC(=O)N2CC3=CC=CC=C3

DOS

IR

Vibrations