Geometry & MOs

Info

ID:	236879
PubChem CID:	92715267
Reduced:	BrN4O4H19C20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	458.05897
ΔH_f, kcal/mol:	-59.73
Dipole, Da:	5.1
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6R)-4-[3-bromo-5-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)[C@H]2C3=C(C[C@@H](N2)C(=O)O)NC=N3)Br)OCC4=CC=CC=N4

DOS

IR

Vibrations