Geometry & MOs

Info

ID:	40728
PubChem CID:	8144595
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	401.07389
ΔH_f, kcal/mol:	2.11
Dipole, Da:	4.93
IP(EA), eV:	-8.04(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(4-bromophenoxy)methyl]benzimidazol-1-yl]methyl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CN(C2=S)CN3CCOCC3)C

DOS

IR

Vibrations