Geometry & MOs

Info

ID:	433718
PubChem CID:	135173858
Reduced:	N2P2O3C12H30 (1)
Stoich.:	A2B2C3D12E30 (1)
Weight, g/mol:	473.09502
ΔH_f, kcal/mol:	-266.34
Dipole, Da:	3.71
IP(EA), eV:	-8.87(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-[4-(4-bromo-3-pyridin-4-ylpyrazol-1-yl)phenoxy]ethoxy]acetate

Drug info:

PubChemData

Smile

CC(C)OP(=O)(CCP(=O)(C(C)C)N(C)C)N(C)C

DOS

IR

Vibrations