Geometry & MOs

Info

ID:	141123
PubChem CID:	52820942
Reduced:	BrN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	370.97463
ΔH_f, kcal/mol:	-104.11
Dipole, Da:	6.56
IP(EA), eV:	-9.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-bromophenyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CN2CCO[C@H](C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations