Geometry & MOs

Info

ID:	414946
PubChem CID:	135087926
Reduced:	FN2O5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-179.36
Dipole, Da:	5.46
IP(EA), eV:	-9.33(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5S,6R,7R)-3-(2-morpholin-4-ylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=C(C(=NO2)NCCC3CCCOC3)C(=O)O)F

DOS

IR

Vibrations