Geometry & MOs

Info

ID:	345770
PubChem CID:	127270070
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-79.59
Dipole, Da:	3.22
IP(EA), eV:	-8.73(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NC2CCN3C2CCCC3

DOS

IR

Vibrations