Geometry & MOs

Info

ID:	49951
PubChem CID:	11538297
Reduced:	NSO3C22H29 (1)
Stoich.:	ABC3D22E29 (1)
Weight, g/mol:	387.299811
ΔH_f, kcal/mol:	-109.39
Dipole, Da:	3.09
IP(EA), eV:	-9.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-5-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1O)C(=O)CC(C)(C)C)OCCCCSC2=CC=NC=C2

DOS

IR

Vibrations