Geometry & MOs

Info

ID:	279589
PubChem CID:	103844402
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	264.129634
ΔH_f, kcal/mol:	-49.05
Dipole, Da:	5.62
IP(EA), eV:	-9.29(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[(thieno[3,2-c]pyridin-4-ylamino)methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C(=NN1C)C)[N+](=O)[O-])CO

DOS

IR

Vibrations