Geometry & MOs

Info

ID:	353985
PubChem CID:	127285642
Reduced:	O2N6C19H32 (1)
Stoich.:	A2B6C19D32 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-57.97
Dipole, Da:	1.94
IP(EA), eV:	-8.56(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzothiophen-3-ylmethyl)-3-[(4-methylmorpholin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NCC3CN(CCO3)C

DOS

IR

Vibrations