Geometry & MOs

Info

ID:	447640
PubChem CID:	135284405
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-76.59
Dipole, Da:	6.54
IP(EA), eV:	-8.98(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-[2-cyano-4-(1H-pyrrolo[3,2-b]pyridin-7-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=C3C(=NC=C2)C=CN3)C#N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations