Geometry & MOs

Info

ID:	376881
PubChem CID:	134222911
Reduced:	O9C29H42 (1)
Stoich.:	A9B29C42 (1)
Weight, g/mol:	374.114568
ΔH_f, kcal/mol:	-374.76
Dipole, Da:	3.17
IP(EA), eV:	-8.81(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(CO)C(C)C2=CC(=C(C(=C2)OC)OC(=O)C(C)(C)C)OC)OC)C(C(C)CO)O

DOS

IR

Vibrations