Geometry & MOs

Info

ID:	447394
PubChem CID:	135282570
Reduced:	Cl2O3N4C29H32 (1)
Stoich.:	A2B3C4D29E32 (1)
Weight, g/mol:	461.24269
ΔH_f, kcal/mol:	-61.79
Dipole, Da:	5.21
IP(EA), eV:	-9.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-[3-cyano-5-(1,6-naphthyridin-4-yl)pyridin-2-yl]oxy-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(CN1CCCNCC1)(C2=CC3=C(C=C2)[C@@](N(C3=O)CC4=NC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)OC)O

DOS

IR

Vibrations