Geometry & MOs

Info

ID:	319614
PubChem CID:	126656802
Reduced:	NOC10H21 (1)
Stoich.:	ABC10D21 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-91.66
Dipole, Da:	3.74
IP(EA), eV:	-10.2(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-5-oxo-2H-pyrrol-4-yl]oxy]benzaldehyde

Drug info:

PubChemData

Smile

CC(C)C(C)C(C(C)C)C(=O)N

DOS

IR

Vibrations