Geometry & MOs

Info

ID:	158992
PubChem CID:	57244413
Reduced:	O2N3C8H19 (1)
Stoich.:	A2B3C8D19 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-127.16
Dipole, Da:	0.57
IP(EA), eV:	-9.52(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(1-benzothiophen-2-yl)-2-methylpropan-2-yl]amino]-3-(2-nitrophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(C)(N)N

DOS

IR

Vibrations