Geometry & MOs

Info

ID:	204528
PubChem CID:	79977647
Reduced:	BrNSC18H24 (1)
Stoich.:	ABCD18E24 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	17.4
Dipole, Da:	3.49
IP(EA), eV:	-8.74(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)CC)C(C2=CC(=C(S2)Br)C)NCC

DOS

IR

Vibrations