Geometry & MOs

Info

ID:	141437
PubChem CID:	52877768
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	295.079763
ΔH_f, kcal/mol:	4.14
Dipole, Da:	8.4
IP(EA), eV:	-8.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[N-[(5-chlorothiophen-2-yl)methyl]anilino]butan-2-ol

Drug info:

PubChemData

Smile

CC[C@](C)(CNC1=C2C3=C(CCCC3)SC2=NC(=N1)C4=CN=CC=C4)O

DOS

IR

Vibrations