Geometry & MOs

Info

ID:	198692
PubChem CID:	79137334
Reduced:	NOF2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	267.165686
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	2.73
IP(EA), eV:	-10.24(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)cycloheptyl]-(5-ethylthiophen-2-yl)methanol

Drug info:

PubChemData

Smile

CCC1CCCC(C1)(C#N)C(C2=C(C=CC=C2F)F)O

DOS

IR

Vibrations