Geometry & MOs

Info

ID:	276495
PubChem CID:	103823829
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	383.03031
ΔH_f, kcal/mol:	-51.41
Dipole, Da:	2.85
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[(5-bromothiophen-2-yl)methylamino]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CNC2=CN=C(C=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations