Geometry & MOs

Info

ID:	421417
PubChem CID:	135115949
Reduced:	N2O3C15H22 (1)
Stoich.:	A2B3C15D22 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-125.65
Dipole, Da:	4.91
IP(EA), eV:	-9.69(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylpyrazin-2-yl)-[(1S,5S)-7-(3-pyrazol-1-ylpropyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CNC(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations