Geometry & MOs

Info

ID:	179782
PubChem CID:	76532285
Reduced:	N9O13C36H53 (1)
Stoich.:	A9B13C36D53 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-587.58
Dipole, Da:	2.06
IP(EA), eV:	-9.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxypropan-2-yl)-6-pentyl-2,3-dihydro-1-benzofuran-7-carbaldehyde

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)N2CC(CC2C(=O)NCC(=O)N3CCCC3C(=O)N4CC(CC4C(=O)NCC(=O)N5CCCC5C(=O)N6CC(CC6C(=O)NCC(=O)O)O)O)O

DOS

IR

Vibrations