Geometry & MOs

Info

ID:	185845
PubChem CID:	77358341
Reduced:	O3N6C32H36 (1)
Stoich.:	A3B6C32D36 (1)
Weight, g/mol:	510.274324
ΔH_f, kcal/mol:	12.17
Dipole, Da:	8.63
IP(EA), eV:	-9.32(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[2,4-diethyl-6-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methoxy]pyrimidin-5-yl]methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(C(=N1)OCC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4)CC5=CC=C(C=C5)C(=O)O)CC

DOS

IR

Vibrations