Geometry & MOs

Info

ID:	205726
PubChem CID:	80146340
Reduced:	FSN2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-9.49
Dipole, Da:	3.19
IP(EA), eV:	-8.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-quinolin-6-ylcycloheptane-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(C)C1=C(C=C(C(=C1)F)C)N(C)CC2=CSC=C2

DOS

IR

Vibrations