Geometry & MOs

Info

ID:	439219
PubChem CID:	135228985
Reduced:	O4N7H23C29 (1)
Stoich.:	A4B7C23D29 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	0.33
Dipole, Da:	10.41
IP(EA), eV:	-8.91(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[amino(hydroxy)methyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=C6C(=NC=C5)NC(=O)C(=N6)C

DOS

IR

Vibrations