Geometry & MOs

Info

ID:	280417
PubChem CID:	103849153
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-57.79
Dipole, Da:	8.81
IP(EA), eV:	-9.75(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cycloheptyl-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)C(=O)NCC3(CCOC3)O)C

DOS

IR

Vibrations