Geometry & MOs

Info

ID:	448640
PubChem CID:	135292419
Reduced:	OC6H8 (4)
Stoich.:	AB6C8 (4)
Weight, g/mol:	523.356263
ΔH_f, kcal/mol:	-188.1
Dipole, Da:	4.35
IP(EA), eV:	-9.67(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-(10-phenylmethoxydecyl)pyrimidine

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C[C@H]1CC[C@@H]3C2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C

DOS

IR

Vibrations