Geometry & MOs

Info

ID:	44455
PubChem CID:	10503631
Reduced:	OPN2H25C29 (1)
Stoich.:	ABC2D25E29 (1)
Weight, g/mol:	448.188589
ΔH_f, kcal/mol:	42.72
Dipole, Da:	3.96
IP(EA), eV:	-8.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-benzoyl-4-[(4-methoxyphenyl)methoxy]-5-phenoxypentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=NC5=CC=CC=C5C4=O)C)C

DOS

IR

Vibrations