Geometry & MOs

Info

ID:	80980
PubChem CID:	49854203
Reduced:	O4N5C25H25 (1)
Stoich.:	A4B5C25D25 (1)
Weight, g/mol:	295.178358
ΔH_f, kcal/mol:	-23.52
Dipole, Da:	3.59
IP(EA), eV:	-8.89(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-heptan-4-yl-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=NN=C(O3)C(=O)N4CCC(CC4)OC5=CC=CC=C5)OC

DOS

IR

Vibrations