Geometry & MOs

Info

ID:	188861
PubChem CID:	77775819
Reduced:	N3O5C29H31 (1)
Stoich.:	A3B5C29D31 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-131.2
Dipole, Da:	4.15
IP(EA), eV:	-9.44(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-hydroxyoxepan-4-yl)-3-methylpentanediamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NC3C(NC3=O)OC(CO)C4=CC=CC=C4

DOS

IR

Vibrations