Geometry & MOs

Info

ID:	43887
PubChem CID:	10321932
Reduced:	O3C30H50 (1)
Stoich.:	A3B30C50 (1)
Weight, g/mol:	457.01516
ΔH_f, kcal/mol:	-100.18
Dipole, Da:	4.64
IP(EA), eV:	-5.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-6-methoxy-2-pyridin-2-yloxypyrimidine

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C[C@H]([C@H]2[C@]1(CC[C@@]3([C@@]2(CC=C4[C@H]3[C@H](C[C@@H]5[C@@]4(CCC(C5(C)C)O)C)O)C)C)C)O

DOS

IR

Vibrations