Geometry & MOs

Info

ID:	201751
PubChem CID:	79575785
Reduced:	NSC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	294.267114
ΔH_f, kcal/mol:	-16.06
Dipole, Da:	2.35
IP(EA), eV:	-7.93(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-heptoxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)SCCC2CCCC2NC)C

DOS

IR

Vibrations