Geometry & MOs

Info

ID:	228002
PubChem CID:	87563207
Reduced:	N2Cl3F3O3C29H30 (1)
Stoich.:	A2B3C3D3E29F30 (1)
Weight, g/mol:	255.95959
ΔH_f, kcal/mol:	-256.23
Dipole, Da:	7.23
IP(EA), eV:	-8.82(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromo-3H-imidazo[4,5-c]pyridin-2-yl)carbamic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(C(C2F)F)F)C(=O)C(CC3=CC=C(C=C3)OCCOC4=C(C=C(C=C4Cl)C)Cl)CN.Cl

DOS

IR

Vibrations