Geometry & MOs

Info

ID:	416583
PubChem CID:	135089731
Reduced:	ClON4C19H25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	368.14601
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	5.01
IP(EA), eV:	-8.29(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone

Drug info:

PubChemData

Smile

CCCN1C=CN=C1CNC(=O)C2=C(C=CC(=C2)N3CCCCC3)Cl

DOS

IR

Vibrations