Geometry & MOs

Info

ID:	369223
PubChem CID:	127331540
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	350.256943
ΔH_f, kcal/mol:	-79.09
Dipole, Da:	6.19
IP(EA), eV:	-8.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2CCN(CC2)C3=NC=CN=C3

DOS

IR

Vibrations