Geometry & MOs

Info

ID:	418949
PubChem CID:	135107212
Reduced:	OSN3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-20.61
Dipole, Da:	4.8
IP(EA), eV:	-8.89(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CC=C(S2)C3CCCCC3

DOS

IR

Vibrations